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

C14H14N2O4 — CID 107369073

IUPAC3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)c1ccc(NC(=O)c2cc(C(=O)O)on2)cc1
InChIInChI=1S/C14H14N2O4/c1-8(2)9-3-5-10(6-4-9)15-13(17)11-7-12(14(18)19)20-16-11/h3-8H,1-2H3,(H,15,17)(H,18,19)
InChIKeyNHPLQNJWJXJDBO-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.75
Rot. Bonds4

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

3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369073) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369073
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)c1ccc(NC(=O)c2cc(C(=O)O)on2)cc1
InChIInChI=1S/C14H14N2O4/c1-8(2)9-3-5-10(6-4-9)15-13(17)11-7-12(14(18)19)20-16-11/h3-8H,1-2H3,(H,15,17)(H,18,19)
InChIKeyNHPLQNJWJXJDBO-UHFFFAOYSA-N
XLogP2.75
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.75
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-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369156
3-[(3-fluoro-4-methoxyphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369102
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
3-(1H-pyrazol-4-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369215
4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730066
5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 66157732
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369219
4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 86695853
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092499
N-(3,4-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253289

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369073) is 3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CC(C)c1ccc(NC(=O)c2cc(C(=O)O)on2)cc1.
What is the InChIKey of 3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is NHPLQNJWJXJDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8(2)9-3-5-10(6-4-9)15-13(17)11-7-12(14(18)19)20-16-11/h3-8H,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).