1,3-Bis(4,5-dihydro-2-oxazolyl)benzene

• Catalog Number: ACM34052909-1
• Product Name: 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene
• CAS: 34052-90-9
• Category: Heterocyclic Organic Compound
• Synonyms: 1,3-Bis(4,5-dihydrooxazol-2-yl)benzene
• IUPAC Name: 2-[3-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
• Molecular Weight: 216.24
• Molecular Formula: C12H12N2O2
• Canonical SMILES: C1COC(=N1)C2=CC(=CC=C2)C3=NCCO3
• InChI: InChI=1S/C12H12N2O2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-3,8H,4-7H2
• InChI Key: HMOZDINWBHMBSQ-UHFFFAOYSA-N
• Boiling Point: 403.5±28.0 °C
• Melting Point: 143-146 °C
• Flash Point: 208 °C
• Complexity: 295
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 421-510-3
• Exact Mass: 216.08987763
• Formal Charge: 0
• H-Bond Acceptor: 4
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 216.08987763
• Physical State: White powder
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 43.2 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0

Custom Q&A

What is the molecular formula of 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene?

The molecular formula is C12H12N2O2.

What is the molecular weight of 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene?

The molecular weight is 216.24 g/mol.

What is the IUPAC name of 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene?

The IUPAC name is 2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole.

What is the InChI of 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene?

The InChI is InChI=1S/C12H12N2O2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-3,8H,4-7H2.

What is the InChIKey of 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene?

The InChIKey is HMOZDINWBHMBSQ-UHFFFAOYSA-N.

What is the canonical SMILES of 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene?

The canonical SMILES is C1COC(=N1)C2=CC(=CC=C2)C3=NCCO3.

What is the CAS number of 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene?

The CAS number is 34052-90-9.

How many hydrogen bond donor counts are there in 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene?

There are 0 hydrogen bond donor counts.

How many rotatable bond counts are there in 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene?

There are 2 rotatable bond counts.