2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid

C12H12N2O3 — CID 106419253

IUPAC2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid
SMILESCc1cc(NCc2ccno2)ccc1C(=O)O
InChIInChI=1S/C12H12N2O3/c1-8-6-9(2-3-11(8)12(15)16)13-7-10-4-5-14-17-10/h2-6,13H,7H2,1H3,(H,15,16)
InChIKeyKILWLWBGMUKBMO-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.29
Rot. Bonds4

About 2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid

2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid (PubChem CID 106419253) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid
PubChem CID106419253
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid
SMILESCc1cc(NCc2ccno2)ccc1C(=O)O
InChIInChI=1S/C12H12N2O3/c1-8-6-9(2-3-11(8)12(15)16)13-7-10-4-5-14-17-10/h2-6,13H,7H2,1H3,(H,15,16)
InChIKeyKILWLWBGMUKBMO-UHFFFAOYSA-N
XLogP2.29
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-(1,2-oxazol-5-ylmethylamino)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-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106422640
1-[2-amino-4-(1,2-oxazol-5-ylmethylamino)phenyl]ethanone
CID 106414616
4-(2,2-difluoroethylamino)-2-methylbenzoic acid
CID 115408718
2,3-difluoro-4-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106419123
4-methyl-3-nitro-N-(1,2-oxazol-5-ylmethyl)aniline
CID 113220621
5-[(4-carbamoyl-3-methylanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 81261708
5-bromo-2-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106423276
2-methyl-4-(3,3,3-trifluoropropylamino)benzoic acid
CID 81281565
5-fluoro-2-(1,2-oxazol-5-ylmethylamino)pyridine-3-carboxylic acid
CID 106419255
2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106339855
2-methyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzoic acid
CID 114184042
2-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzoic acid
CID 102906578

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid?
The IUPAC name of 2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid (CID 106419253) is 2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid.
What is the SMILES notation for 2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid?
The canonical SMILES for 2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid is Cc1cc(NCc2ccno2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid?
The InChIKey is KILWLWBGMUKBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-6-9(2-3-11(8)12(15)16)13-7-10-4-5-14-17-10/h2-6,13H,7H2,1H3,(H,15,16).
What are the key properties of 2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid?
2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid has a molecular weight of 232.24 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,2-oxazol-5-ylmethylamino)benzoic acid is sourced from PubChem (CID 106419253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).