4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid

C14H15NO4 — CID 71651871

IUPAC4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
SMILESCc1ccc(OCc2c(C(=O)O)noc2C)cc1C
InChIInChI=1S/C14H15NO4/c1-8-4-5-11(6-9(8)2)18-7-12-10(3)19-15-13(12)14(16)17/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyOJQPSFZCANBNHU-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.88
Rot. Bonds4

About 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid

4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid (PubChem CID 71651871) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
PubChem CID71651871
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
SMILESCc1ccc(OCc2c(C(=O)O)noc2C)cc1C
InChIInChI=1S/C14H15NO4/c1-8-4-5-11(6-9(8)2)18-7-12-10(3)19-15-13(12)14(16)17/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyOJQPSFZCANBNHU-UHFFFAOYSA-N
XLogP2.88
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic 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

4-(2,3-dihydro-1H-inden-5-yloxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623168
4-[(3,4-dimethylphenoxy)methyl]-N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444934
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methylbenzoic acid
CID 82165950
N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445000
4-[(3,4-dimethylphenoxy)methyl]-N-(2,3-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19444935
[4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19445230
4-[(4-chlorophenoxy)methyl]-N-(3,4-dimethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443637
4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-(1-methylbenzimidazol-2-yl)-1,2-oxazole-3-carboxamide
CID 19445012
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-hydroxybenzoic acid
CID 10264729
4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623167
4-[(3,4-dimethylphenoxy)methyl]-5-methyl-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19445143
4-[(3,4-dimethylphenoxy)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445175

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid (CID 71651871) is 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid is Cc1ccc(OCc2c(C(=O)O)noc2C)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is OJQPSFZCANBNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8-4-5-11(6-9(8)2)18-7-12-10(3)19-15-13(12)14(16)17/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid?
4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 71651871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).