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

C13H12N2O4 — CID 107369156

IUPAC3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCc1ccc(NC(=O)c2cc(C(=O)O)on2)cc1
InChIInChI=1S/C13H12N2O4/c1-2-8-3-5-9(6-4-8)14-12(16)10-7-11(13(17)18)19-15-10/h3-7H,2H2,1H3,(H,14,16)(H,17,18)
InChIKeyBBMJCOTWEQJYNJ-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.19
Rot. Bonds4

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

3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369156) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369156
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCc1ccc(NC(=O)c2cc(C(=O)O)on2)cc1
InChIInChI=1S/C13H12N2O4/c1-2-8-3-5-9(6-4-8)14-12(16)10-7-11(13(17)18)19-15-10/h3-7H,2H2,1H3,(H,14,16)(H,17,18)
InChIKeyBBMJCOTWEQJYNJ-UHFFFAOYSA-N
XLogP2.19
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369010
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-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107642755
3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369215
N-(4-ethylphenyl)-6-methylpyridazine-3-carboxamide
CID 110705292
N-(4-ethylphenyl)benzamide
CID 774063
N-(4-ethylphenyl)thiadiazole-4-carboxamide
CID 1454928
3-ethyl-N-phenyl-1,2-oxazole-5-carboxamide
CID 15692911
N-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide
CID 7213179
6-N-(4-ethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100178
3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369167

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369156) is 3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CCc1ccc(NC(=O)c2cc(C(=O)O)on2)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is BBMJCOTWEQJYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-2-8-3-5-9(6-4-8)14-12(16)10-7-11(13(17)18)19-15-10/h3-7H,2H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).