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

C15H17NO3 — CID 82089801

IUPAC3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
SMILESCc1ccc(-c2oc(CCC(=O)O)nc2C)cc1C
InChIInChI=1S/C15H17NO3/c1-9-4-5-12(8-10(9)2)15-11(3)16-13(19-15)6-7-14(17)18/h4-5,8H,6-7H2,1-3H3,(H,17,18)
InChIKeyMIVYYPOHKLJONA-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.28
Rot. Bonds4

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

3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid (PubChem CID 82089801) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
PubChem CID82089801
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
SMILESCc1ccc(-c2oc(CCC(=O)O)nc2C)cc1C
InChIInChI=1S/C15H17NO3/c1-9-4-5-12(8-10(9)2)15-11(3)16-13(19-15)6-7-14(17)18/h4-5,8H,6-7H2,1-3H3,(H,17,18)
InChIKeyMIVYYPOHKLJONA-UHFFFAOYSA-N
XLogP3.28
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-(3,4-dimethylphenyl)-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-[5-(3-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
CID 82090420
3-[4-methyl-5-(3-nitrophenyl)-1,3-oxazol-2-yl]propanoic acid
CID 43133305
3-[5-[4-(3,4-dihydro-1H-isochromen-6-yl)phenyl]-4-methyl-1,3-oxazol-2-yl]propanoic acid
CID 167972672
3-[5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]propanoic acid
CID 82093289
N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119383262
3-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190566
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614
5-(3,4-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxylic acid
CID 67232459
3-[5-(3-hydroxy-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929244
3-[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethylamino]propanoic acid
CID 82102974
3-(7-bromo-4,6-dimethyl-1,3-benzoxazol-2-yl)propanoic acid
CID 82234026
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779155

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid (CID 82089801) is 3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid is Cc1ccc(-c2oc(CCC(=O)O)nc2C)cc1C.
What is the InChIKey of 3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid?
The InChIKey is MIVYYPOHKLJONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-4-5-12(8-10(9)2)15-11(3)16-13(19-15)6-7-14(17)18/h4-5,8H,6-7H2,1-3H3,(H,17,18).
What are the key properties of 3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid?
3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid has a molecular weight of 259.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]propanoic acid is sourced from PubChem (CID 82089801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).