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

C13H12N2O4 — CID 107369167

IUPAC3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCc1cccc(NC(=O)c2cc(C(=O)O)on2)c1C
InChIInChI=1S/C13H12N2O4/c1-7-4-3-5-9(8(7)2)14-12(16)10-6-11(13(17)18)19-15-10/h3-6H,1-2H3,(H,14,16)(H,17,18)
InChIKeyYQSPEUAXHNNXLK-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.24
Rot. Bonds3

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

3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369167) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369167
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCc1cccc(NC(=O)c2cc(C(=O)O)on2)c1C
InChIInChI=1S/C13H12N2O4/c1-7-4-3-5-9(8(7)2)14-12(16)10-6-11(13(17)18)19-15-10/h3-6H,1-2H3,(H,14,16)(H,17,18)
InChIKeyYQSPEUAXHNNXLK-UHFFFAOYSA-N
XLogP2.24
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46265526
3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369823
4-amino-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 62156095
3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369359
N-(2,3-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464286
3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369381
N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 5307726
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
N-(2,3-dimethylphenyl)-6-phenylpyridazine-3-carboxamide
CID 113200610
3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107530858
N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 694797
N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 64793807

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369167) is 3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is Cc1cccc(NC(=O)c2cc(C(=O)O)on2)c1C.
What is the InChIKey of 3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is YQSPEUAXHNNXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-7-4-3-5-9(8(7)2)14-12(16)10-6-11(13(17)18)19-15-10/h3-6H,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).