3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid

C14H15NO4 — CID 82090420

IUPAC3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
SMILESCOc1cccc(-c2oc(CCC(=O)O)nc2C)c1
InChIInChI=1S/C14H15NO4/c1-9-14(10-4-3-5-11(8-10)18-2)19-12(15-9)6-7-13(16)17/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyOKYAAOOEDKAJNL-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.68
Rot. Bonds5

About 3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid

3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid (PubChem CID 82090420) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
PubChem CID82090420
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
SMILESCOc1cccc(-c2oc(CCC(=O)O)nc2C)c1
InChIInChI=1S/C14H15NO4/c1-9-14(10-4-3-5-11(8-10)18-2)19-12(15-9)6-7-13(16)17/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyOKYAAOOEDKAJNL-UHFFFAOYSA-N
XLogP2.68
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic 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

3-[4-methyl-5-(3-nitrophenyl)-1,3-oxazol-2-yl]propanoic acid
CID 43133305
3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
CID 82089801
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]propanoic acid
CID 82301525
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 18204988
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
CID 82093289
3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190566
3-[1-(3-methoxyphenyl)-2-methylimidazol-4-yl]propanoic acid
CID 82301682
3-[4-bromo-5-(3-methoxyphenyl)-1-methylimidazol-2-yl]propanoic acid
CID 84611921
3-[5-[4-(3,4-dihydro-1H-isochromen-6-yl)phenyl]-4-methyl-1,3-oxazol-2-yl]propanoic acid
CID 167972672
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203
N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119383262

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid (CID 82090420) is 3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid is COc1cccc(-c2oc(CCC(=O)O)nc2C)c1.
What is the InChIKey of 3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid?
The InChIKey is OKYAAOOEDKAJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9-14(10-4-3-5-11(8-10)18-2)19-12(15-9)6-7-13(16)17/h3-5,8H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid?
3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid has a molecular weight of 261.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid is sourced from PubChem (CID 82090420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).