5-phenyl-1,3-oxazol-4-one

C9H7NO2 — CID 21452077

IUPAC5-phenyl-1,3-oxazol-4-one
SMILESO=C1N=COC1c1ccccc1
InChIInChI=1S/C9H7NO2/c11-9-8(12-6-10-9)7-4-2-1-3-5-7/h1-6,8H
InChIKeyLQPWKQASGOOCJN-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.31
Rot. Bonds1

About 5-phenyl-1,3-oxazol-4-one

5-phenyl-1,3-oxazol-4-one (PubChem CID 21452077) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-phenyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name5-phenyl-1,3-oxazol-4-one
PubChem CID21452077
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name5-phenyl-1,3-oxazol-4-one
SMILESO=C1N=COC1c1ccccc1
InChIInChI=1S/C9H7NO2/c11-9-8(12-6-10-9)7-4-2-1-3-5-7/h1-6,8H
InChIKeyLQPWKQASGOOCJN-UHFFFAOYSA-N
XLogP1.31
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,3-oxazol-4-one?
The IUPAC name of 5-phenyl-1,3-oxazol-4-one (CID 21452077) is 5-phenyl-1,3-oxazol-4-one.
What is the SMILES notation for 5-phenyl-1,3-oxazol-4-one?
The canonical SMILES for 5-phenyl-1,3-oxazol-4-one is O=C1N=COC1c1ccccc1.
What is the InChIKey of 5-phenyl-1,3-oxazol-4-one?
The InChIKey is LQPWKQASGOOCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-9-8(12-6-10-9)7-4-2-1-3-5-7/h1-6,8H.
What are the key properties of 5-phenyl-1,3-oxazol-4-one?
5-phenyl-1,3-oxazol-4-one has a molecular weight of 161.16 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3-oxazol-4-one is sourced from PubChem (CID 21452077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).