5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid

C16H18N2O5 — CID 75459956

IUPAC5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(CNC(=O)Cc2c(C)noc2C)cc1C(=O)O
InChIInChI=1S/C16H18N2O5/c1-9-12(10(2)23-18-9)7-15(19)17-8-11-4-5-14(22-3)13(6-11)16(20)21/h4-6H,7-8H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyIKGJAKUORJMLHO-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.86
Rot. Bonds6

About 5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid

5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid (PubChem CID 75459956) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid
PubChem CID75459956
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid
SMILESCOc1ccc(CNC(=O)Cc2c(C)noc2C)cc1C(=O)O
InChIInChI=1S/C16H18N2O5/c1-9-12(10(2)23-18-9)7-15(19)17-8-11-4-5-14(22-3)13(6-11)16(20)21/h4-6H,7-8H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyIKGJAKUORJMLHO-UHFFFAOYSA-N
XLogP1.86
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic 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-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 46470607
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 30272063
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
1-[(3,4-dimethoxyphenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47850580
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 99834666
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid
CID 154795566
N-(2,5-dimethoxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30273731
2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 77230394
N-(3-benzyl-4-methoxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 27038879
N-(2,5-dimethoxyphenyl)sulfonyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 71892345
3-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-1-benzofuran-2-carboxylic acid
CID 138044123

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid (CID 75459956) is 5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid is COc1ccc(CNC(=O)Cc2c(C)noc2C)cc1C(=O)O.
What is the InChIKey of 5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid?
The InChIKey is IKGJAKUORJMLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-9-12(10(2)23-18-9)7-15(19)17-8-11-4-5-14(22-3)13(6-11)16(20)21/h4-6H,7-8H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid?
5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid has a molecular weight of 318.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid is sourced from PubChem (CID 75459956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).