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

C9H7NO3 — CID 54169541

IUPAC4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(O)c(-c2ccccc2)o1
InChIInChI=1S/C9H7NO3/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,11H,(H,10,12)
InChIKeyOUAQKJFQZWGCIF-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.34
Rot. Bonds1

About 4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one

4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one (PubChem CID 54169541) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one
PubChem CID54169541
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one
SMILESO=c1[nH]c(O)c(-c2ccccc2)o1
InChIInChI=1S/C9H7NO3/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,11H,(H,10,12)
InChIKeyOUAQKJFQZWGCIF-UHFFFAOYSA-N
XLogP1.34
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one?
The IUPAC name of 4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one (CID 54169541) is 4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one?
The canonical SMILES for 4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one is O=c1[nH]c(O)c(-c2ccccc2)o1.
What is the InChIKey of 4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one?
The InChIKey is OUAQKJFQZWGCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c11-8-7(13-9(12)10-8)6-4-2-1-3-5-6/h1-5,11H,(H,10,12).
What are the key properties of 4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one?
4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one has a molecular weight of 177.16 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 54169541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).