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

C12H12N2O3 — CID 23986643

IUPAC4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H12N2O3/c15-11(16)8-4-7-10-13-14-12(17-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16)
InChIKeyWKTZMTARAUCRSD-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.14
Rot. Bonds5

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

4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid (PubChem CID 23986643) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
PubChem CID23986643
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
SMILESO=C(O)CCCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C12H12N2O3/c15-11(16)8-4-7-10-13-14-12(17-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16)
InChIKeyWKTZMTARAUCRSD-UHFFFAOYSA-N
XLogP2.14
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 54929432
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39352729
4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60906941
3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate
CID 7130632
4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
4-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 63186939
4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912310
4-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114822229
4-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39400194
N-(1-hydroxypropan-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 110890211
5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 54929886
4-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 55162479

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The IUPAC name of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid (CID 23986643) is 4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The canonical SMILES for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid is O=C(O)CCCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid?
The InChIKey is WKTZMTARAUCRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11(16)8-4-7-10-13-14-12(17-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16).
What are the key properties of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid?
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid has a molecular weight of 232.24 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid is sourced from PubChem (CID 23986643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).