5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid

C13H12N2O5 — CID 78980914

IUPAC5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
SMILESCOc1ccc(NC(=O)c2cc(C)on2)c(C(=O)O)c1
InChIInChI=1S/C13H12N2O5/c1-7-5-11(15-20-7)12(16)14-10-4-3-8(19-2)6-9(10)13(17)18/h3-6H,1-2H3,(H,14,16)(H,17,18)
InChIKeyJYEFSVMOTDKMCY-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.94
Rot. Bonds4

About 5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid

5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid (PubChem CID 78980914) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
PubChem CID78980914
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
SMILESCOc1ccc(NC(=O)c2cc(C)on2)c(C(=O)O)c1
InChIInChI=1S/C13H12N2O5/c1-7-5-11(15-20-7)12(16)14-10-4-3-8(19-2)6-9(10)13(17)18/h3-6H,1-2H3,(H,14,16)(H,17,18)
InChIKeyJYEFSVMOTDKMCY-UHFFFAOYSA-N
XLogP1.94
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid
CID 115410990
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 102801339
2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-methoxybenzoic acid
CID 115410984
2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 28777043
2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 61398577
2-[(5-chlorothiophene-2-carbonyl)amino]-5-methoxybenzoic acid
CID 78980996
2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid
CID 106851150
2-[(3-hydroxybenzoyl)amino]-5-methoxybenzoic acid
CID 115410948
3-fluoro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 55159058
5-methoxy-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]benzoic acid
CID 115410954
2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-5-methoxybenzoic acid
CID 115410909
2-[(5-fluoropyridine-3-carbonyl)amino]-5-methoxybenzoic acid
CID 104785687

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid?
The IUPAC name of 5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid (CID 78980914) is 5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid is COc1ccc(NC(=O)c2cc(C)on2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid?
The InChIKey is JYEFSVMOTDKMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-7-5-11(15-20-7)12(16)14-10-4-3-8(19-2)6-9(10)13(17)18/h3-6H,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid?
5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid has a molecular weight of 276.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 78980914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).