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

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Related Compounds

5-benzamido-2-phenyl-1,3-oxazole-4-carboxamide
CID 90949372
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70167544
5-amino-2-phenyl-1,3-oxazole-4-carbothioamide
CID 2741465
N-(diaminomethylidene)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 25103539
5-(1-methylsulfonylethyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 104517924
5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 62586319
5-(3,4-dimethoxyphenyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 11370771
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
(5-phenyl-1,3-oxazol-2-yl)urea
CID 150463239
methyl 2-phenyl-5-[2-(2,2,2-trifluoroacetyl)hydrazinyl]-1,3-oxazole-4-carboxylate
CID 39868678
2-phenyl-5-[4-(3-phenylpropanoylamino)phenyl]-1,3-oxazole-4-carboxylic acid
CID 70166519

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).