2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid

C12H9ClN2O4 — CID 19439718

IUPAC2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
SMILESCc1oncc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C12H9ClN2O4/c1-6-9(5-14-19-6)11(16)15-7-2-3-8(12(17)18)10(13)4-7/h2-5H,1H3,(H,15,16)(H,17,18)
InChIKeyOGOARDBCAILAMS-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.59
Rot. Bonds3

About 2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid

2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid (PubChem CID 19439718) has the molecular formula C12H9ClN2O4 and a molecular weight of 280.67 g/mol. Its IUPAC name is 2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
PubChem CID19439718
Molecular FormulaC12H9ClN2O4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
SMILESCc1oncc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C12H9ClN2O4/c1-6-9(5-14-19-6)11(16)15-7-2-3-8(12(17)18)10(13)4-7/h2-5H,1H3,(H,15,16)(H,17,18)
InChIKeyOGOARDBCAILAMS-UHFFFAOYSA-N
XLogP2.59
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64788102
2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336452
2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 61398577
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
2-chloro-4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoic acid
CID 81361370
N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850525
2-chloro-4-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515648
ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
CID 91575161
N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64787357
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119101346
N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16775776

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid (CID 19439718) is 2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid is Cc1oncc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid?
The InChIKey is OGOARDBCAILAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4/c1-6-9(5-14-19-6)11(16)15-7-2-3-8(12(17)18)10(13)4-7/h2-5H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid?
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid has a molecular weight of 280.67 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 19439718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).