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

C9H8N2O2 — CID 4723

💊View drug profile → pemoline
IUPAC2-amino-5-phenyl-1,3-oxazol-4-one
SMILESNC1=NC(=O)C(c2ccccc2)O1
InChIInChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)
InChIKeyNRNCYVBFPDDJNE-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.60
Rot. Bonds1

About 2-amino-5-phenyl-1,3-oxazol-4-one

2-amino-5-phenyl-1,3-oxazol-4-one (PubChem CID 4723) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-amino-5-phenyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name2-amino-5-phenyl-1,3-oxazol-4-one
PubChem CID4723
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-amino-5-phenyl-1,3-oxazol-4-one
SMILESNC1=NC(=O)C(c2ccccc2)O1
InChIInChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)
InChIKeyNRNCYVBFPDDJNE-UHFFFAOYSA-N
XLogP0.60
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-phenyl-1,3-oxazol-4-one with MolForge

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

Launch Full Analysis

Related Compounds

Aminorex
CID 16630
Fenozolone
CID 135436543
Thozalinone
CID 12602
Cyclazodone
CID 135438121
5-Phenyloxazolidinedione
CID 84042
2-Oxazolin-4-one, 5-phenyl-2-(2-propynylamino)-
CID 135400197
Magnesium pemoline
CID 137321692
2-Amino-5-phenyl4(5H)-oxazolone
CID 137628477
2-Oxazolin-4-one, 2-(N-methyl-N-(1-methyl-2-propynyl)amino)-5-phenyl-
CID 118014
2-Diethylamino-5-phenyl-2-oxazolin-4-one
CID 121407
2-Oxazolin-4-one, 2-((1,1-dimethyl-2-propynyl)amino)-5-phenyl-
CID 135400195
2-Amino-5-phenyl-2-oxazolin-4-one + Mg(OH)2
CID 84048

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-phenyl-1,3-oxazol-4-one?
The IUPAC name of 2-amino-5-phenyl-1,3-oxazol-4-one (CID 4723) is 2-amino-5-phenyl-1,3-oxazol-4-one.
What is the SMILES notation for 2-amino-5-phenyl-1,3-oxazol-4-one?
The canonical SMILES for 2-amino-5-phenyl-1,3-oxazol-4-one is NC1=NC(=O)C(c2ccccc2)O1.
What is the InChIKey of 2-amino-5-phenyl-1,3-oxazol-4-one?
The InChIKey is NRNCYVBFPDDJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12).
What are the key properties of 2-amino-5-phenyl-1,3-oxazol-4-one?
2-amino-5-phenyl-1,3-oxazol-4-one has a molecular weight of 176.17 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-phenyl-1,3-oxazol-4-one is sourced from PubChem (CID 4723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).