4-phenyl-1,3-oxazol-2-amine

C9H8N2O — CID 520605

IUPAC4-phenyl-1,3-oxazol-2-amine
SMILESNc1nc(-c2ccccc2)co1
InChIInChI=1S/C9H8N2O/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)
InChIKeyFXRWCCOADRNYMB-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.92
Rot. Bonds1

About 4-phenyl-1,3-oxazol-2-amine

4-phenyl-1,3-oxazol-2-amine (PubChem CID 520605) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-phenyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-phenyl-1,3-oxazol-2-amine
PubChem CID520605
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4-phenyl-1,3-oxazol-2-amine
SMILESNc1nc(-c2ccccc2)co1
InChIInChI=1S/C9H8N2O/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)
InChIKeyFXRWCCOADRNYMB-UHFFFAOYSA-N
XLogP1.92
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-1,3-oxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,3-oxazol-2-amine?
The IUPAC name of 4-phenyl-1,3-oxazol-2-amine (CID 520605) is 4-phenyl-1,3-oxazol-2-amine.
What is the SMILES notation for 4-phenyl-1,3-oxazol-2-amine?
The canonical SMILES for 4-phenyl-1,3-oxazol-2-amine is Nc1nc(-c2ccccc2)co1.
What is the InChIKey of 4-phenyl-1,3-oxazol-2-amine?
The InChIKey is FXRWCCOADRNYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11).
What are the key properties of 4-phenyl-1,3-oxazol-2-amine?
4-phenyl-1,3-oxazol-2-amine has a molecular weight of 160.18 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,3-oxazol-2-amine is sourced from PubChem (CID 520605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).