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

C18H14N2O4 — CID 157064774

IUPAC3-phenyl-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2ccccc2)[nH]o1.O=c1cc(-c2ccccc2)[nH]o1
InChIInChI=1S/2C9H7NO2/c2*11-9-6-8(10-12-9)7-4-2-1-3-5-7/h2*1-6,10H
InChIKeyABTCUVCTPLGFBA-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.27
Rot. Bonds2

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

3-phenyl-2H-1,2-oxazol-5-one (PubChem CID 157064774) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 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 CID157064774
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name3-phenyl-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2ccccc2)[nH]o1.O=c1cc(-c2ccccc2)[nH]o1
InChIInChI=1S/2C9H7NO2/c2*11-9-6-8(10-12-9)7-4-2-1-3-5-7/h2*1-6,10H
InChIKeyABTCUVCTPLGFBA-UHFFFAOYSA-N
XLogP3.27
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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 157064774) 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.O=c1cc(-c2ccccc2)[nH]o1.
What is the InChIKey of 3-phenyl-2H-1,2-oxazol-5-one?
The InChIKey is ABTCUVCTPLGFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7NO2/c2*11-9-6-8(10-12-9)7-4-2-1-3-5-7/h2*1-6,10H.
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 322.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 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 157064774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).