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

C11H10N2O3 — CID 665968

IUPAC3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid
SMILESO=C(O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C11H10N2O3/c14-10(15)7-6-9-12-11(13-16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKeyUBSBRLFVQKHLPG-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.75
Rot. Bonds4

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

3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid (PubChem CID 665968) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid
PubChem CID665968
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid
SMILESO=C(O)CCc1nc(-c2ccccc2)no1
InChIInChI=1S/C11H10N2O3/c14-10(15)7-6-9-12-11(13-16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKeyUBSBRLFVQKHLPG-UHFFFAOYSA-N
XLogP1.75
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-phenyl-1,2,4-oxadiazol-5-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

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid?
The IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid (CID 665968) is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid?
The canonical SMILES for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid is O=C(O)CCc1nc(-c2ccccc2)no1.
What is the InChIKey of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid?
The InChIKey is UBSBRLFVQKHLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-10(15)7-6-9-12-11(13-16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15).
What are the key properties of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid?
3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid has a molecular weight of 218.21 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid is sourced from PubChem (CID 665968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).