2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid

C13H14N2O3 — CID 82020844

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc(CC(C(=O)O)c2nnc(C)o2)c1
InChIInChI=1S/C13H14N2O3/c1-8-4-3-5-10(6-8)7-11(13(16)17)12-15-14-9(2)18-12/h3-6,11H,7H2,1-2H3,(H,16,17)
InChIKeyUYOIGSFZSGXNRW-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.10
Rot. Bonds4

About 2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid

2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid (PubChem CID 82020844) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid
PubChem CID82020844
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid
SMILESCc1cccc(CC(C(=O)O)c2nnc(C)o2)c1
InChIInChI=1S/C13H14N2O3/c1-8-4-3-5-10(6-8)7-11(13(16)17)12-15-14-9(2)18-12/h3-6,11H,7H2,1-2H3,(H,16,17)
InChIKeyUYOIGSFZSGXNRW-UHFFFAOYSA-N
XLogP2.10
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)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-ethylphenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82020848
3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82020847
3-(3-methylphenyl)-2-(6-propan-2-ylpyrimidin-4-yl)propanoic acid
CID 104572647
3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104572623
3-(3-methylphenyl)-2-phenylpropanamide
CID 123295994
(2S)-3-(3-methylphenyl)-2-sulfanylpropanoic acid
CID 959252
3-(3-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid
CID 104572631
2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid
CID 106505340
2-[2-(dimethylamino)pyrimidin-4-yl]-3-(3-methylphenyl)propanoic acid
CID 104572640
2-(dimethylamino)-3-(3-methylphenyl)propanoic acid
CID 59981449
2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 82020875
N-[(3-methylphenyl)methyl]-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
CID 110393000

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid (CID 82020844) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid is Cc1cccc(CC(C(=O)O)c2nnc(C)o2)c1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid?
The InChIKey is UYOIGSFZSGXNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-4-3-5-10(6-8)7-11(13(16)17)12-15-14-9(2)18-12/h3-6,11H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid?
2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid has a molecular weight of 246.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-3-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 82020844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).