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

C12H7N3O4 — CID 107369142

IUPAC3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESN#Cc1ccccc1NC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C12H7N3O4/c13-6-7-3-1-2-4-8(7)14-11(16)9-5-10(12(17)18)19-15-9/h1-5H,(H,14,16)(H,17,18)
InChIKeyJOISVDGNQSFPCA-UHFFFAOYSA-N
MW257.21 g/mol
LogP1.50
Rot. Bonds3

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

3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369142) has the molecular formula C12H7N3O4 and a molecular weight of 257.21 g/mol. Its IUPAC name is 3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369142
Molecular FormulaC12H7N3O4
Molecular Weight257.21 g/mol
Exact Mass257.04
IUPAC Name3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESN#Cc1ccccc1NC(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C12H7N3O4/c13-6-7-3-1-2-4-8(7)14-11(16)9-5-10(12(17)18)19-15-9/h1-5H,(H,14,16)(H,17,18)
InChIKeyJOISVDGNQSFPCA-UHFFFAOYSA-N
XLogP1.50
TPSA116.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 84579053
3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369167
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110864656
3-[(2-cyanophenyl)-methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369822
N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 63024235
N-(2-cyanophenyl)thiadiazole-4-carboxamide
CID 65214777
6-amino-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 55043296
6-bromo-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 103889509
N-(2-cyanophenyl)quinoline-2-carboxamide
CID 10588311
4-(2-cyanoanilino)-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 109222697
N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71684163

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369142) is 3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is N#Cc1ccccc1NC(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is JOISVDGNQSFPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O4/c13-6-7-3-1-2-4-8(7)14-11(16)9-5-10(12(17)18)19-15-9/h1-5H,(H,14,16)(H,17,18).
What are the key properties of 3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 257.21 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).