3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C13H11N3O5 — CID 107369010

IUPAC3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(C(=O)O)on2)cc1
InChIInChI=1S/C13H11N3O5/c1-7(17)14-8-2-4-9(5-3-8)15-12(18)10-6-11(13(19)20)21-16-10/h2-6H,1H3,(H,14,17)(H,15,18)(H,19,20)
InChIKeyRYYQKHNWWDZLMK-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.58
Rot. Bonds4

About 3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369010) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is 3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369010
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC Name3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(C(=O)O)on2)cc1
InChIInChI=1S/C13H11N3O5/c1-7(17)14-8-2-4-9(5-3-8)15-12(18)10-6-11(13(19)20)21-16-10/h2-6H,1H3,(H,14,17)(H,15,18)(H,19,20)
InChIKeyRYYQKHNWWDZLMK-UHFFFAOYSA-N
XLogP1.58
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369156
3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369073
3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369102
3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369215
3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369167
3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369359
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107530858
3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369142
N-(4-acetamidophenyl)-4-aminopyridine-2-carboxamide
CID 95473649
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107642755
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369219

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369010) is 3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CC(=O)Nc1ccc(NC(=O)c2cc(C(=O)O)on2)cc1.
What is the InChIKey of 3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is RYYQKHNWWDZLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c1-7(17)14-8-2-4-9(5-3-8)15-12(18)10-6-11(13(19)20)21-16-10/h2-6H,1H3,(H,14,17)(H,15,18)(H,19,20).
What are the key properties of 3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 289.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).