5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid

C11H9N3O4 — CID 69484177

IUPAC5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid
SMILESNC(=O)Nc1oc(-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C11H9N3O4/c12-11(17)14-9-7(10(15)16)13-8(18-9)6-4-2-1-3-5-6/h1-5H,(H,15,16)(H3,12,14,17)
InChIKeyCKLVBPLPLIPRRY-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.53
Rot. Bonds3

About 5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid

5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid (PubChem CID 69484177) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid
PubChem CID69484177
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Name5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid
SMILESNC(=O)Nc1oc(-c2ccccc2)nc1C(=O)O
InChIInChI=1S/C11H9N3O4/c12-11(17)14-9-7(10(15)16)13-8(18-9)6-4-2-1-3-5-6/h1-5H,(H,15,16)(H3,12,14,17)
InChIKeyCKLVBPLPLIPRRY-UHFFFAOYSA-N
XLogP1.53
TPSA118.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid 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 5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid (CID 69484177) is 5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid is NC(=O)Nc1oc(-c2ccccc2)nc1C(=O)O.
What is the InChIKey of 5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is CKLVBPLPLIPRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c12-11(17)14-9-7(10(15)16)13-8(18-9)6-4-2-1-3-5-6/h1-5H,(H,15,16)(H3,12,14,17).
What are the key properties of 5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid?
5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 247.21 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-2-phenyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 69484177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).