3-phenyl-2H-1,2-oxazol-5-one

C9H7NO2 — CID 568654

IUPAC3-phenyl-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2ccccc2)[nH]o1
InChIInChI=1S/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-6,10H
InChIKeyJJZNCUHIYJBAMS-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.63
Rot. Bonds1

About 3-phenyl-2H-1,2-oxazol-5-one

3-phenyl-2H-1,2-oxazol-5-one (PubChem CID 568654) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-phenyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-phenyl-2H-1,2-oxazol-5-one
PubChem CID568654
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name3-phenyl-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2ccccc2)[nH]o1
InChIInChI=1S/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-6,10H
InChIKeyJJZNCUHIYJBAMS-UHFFFAOYSA-N
XLogP1.63
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2H-1,2-oxazol-5-one?
The IUPAC name of 3-phenyl-2H-1,2-oxazol-5-one (CID 568654) is 3-phenyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-phenyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-phenyl-2H-1,2-oxazol-5-one is O=c1cc(-c2ccccc2)[nH]o1.
What is the InChIKey of 3-phenyl-2H-1,2-oxazol-5-one?
The InChIKey is JJZNCUHIYJBAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-9-6-8(10-12-9)7-4-2-1-3-5-7/h1-6,10H.
What are the key properties of 3-phenyl-2H-1,2-oxazol-5-one?
3-phenyl-2H-1,2-oxazol-5-one has a molecular weight of 161.16 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 568654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).