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

C15H16N2O3 — CID 82026620

IUPAC3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(CC(=O)O)c1nnc(C2CC2)o1
InChIInChI=1S/C15H16N2O3/c1-9-4-2-3-5-11(9)12(8-13(18)19)15-17-16-14(20-15)10-6-7-10/h2-5,10,12H,6-8H2,1H3,(H,18,19)
InChIKeyAIXCKXYOUZFCPN-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.86
Rot. Bonds5

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

3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)propanoic acid (PubChem CID 82026620) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)propanoic acid
PubChem CID82026620
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1C(CC(=O)O)c1nnc(C2CC2)o1
InChIInChI=1S/C15H16N2O3/c1-9-4-2-3-5-11(9)12(8-13(18)19)15-17-16-14(20-15)10-6-7-10/h2-5,10,12H,6-8H2,1H3,(H,18,19)
InChIKeyAIXCKXYOUZFCPN-UHFFFAOYSA-N
XLogP2.86
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(2-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

2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 82020875
3-(4-bromophenyl)-3-(2-methylphenyl)propanoic acid
CID 67015622
3-(2-methylphenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 112511684
(3S)-3-[[(1S,5S)-bicyclo[3.1.0]hexane-6-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 98271190
(3R)-3-[[2-(4-cyclopropyltriazol-1-yl)acetyl]amino]-3-(2-methylphenyl)propanoic acid
CID 124693975
(3S)-3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3-(2-methylphenyl)propanoic acid
CID 129415150
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoic acid
CID 82026604
2-[(1S)-1-(2-methylphenoxy)propyl]-5-(oxan-4-yl)-1,3,4-oxadiazole
CID 164634348
3-(methylamino)-3-(2-methylphenyl)propanoic acid
CID 65236485
3-amino-4-(2-methylphenyl)pentanoic acid
CID 69407204
CID 167634596
CID 167634596
3-cyclopropyl-3-(2-methylphenyl)propanamide
CID 82076759

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)propanoic acid (CID 82026620) is 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)propanoic acid is Cc1ccccc1C(CC(=O)O)c1nnc(C2CC2)o1.
What is the InChIKey of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)propanoic acid?
The InChIKey is AIXCKXYOUZFCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-4-2-3-5-11(9)12(8-13(18)19)15-17-16-14(20-15)10-6-7-10/h2-5,10,12H,6-8H2,1H3,(H,18,19).
What are the key properties of 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)propanoic acid?
3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 82026620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).