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

C12H12N2O3 — CID 667252

IUPAC4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
SMILESO=C(O)CCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C12H12N2O3/c15-11(16)8-4-7-10-13-12(14-17-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16)
InChIKeyMZTVBDKRHBBHNR-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.14
Rot. Bonds5

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

4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid (PubChem CID 667252) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
PubChem CID667252
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
SMILESO=C(O)CCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C12H12N2O3/c15-11(16)8-4-7-10-13-12(14-17-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16)
InChIKeyMZTVBDKRHBBHNR-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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid?
The IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid (CID 667252) is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid.
What is the SMILES notation for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid?
The canonical SMILES for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid is O=C(O)CCCc1nc(-c2ccccc2)no1.
What is the InChIKey of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid?
The InChIKey is MZTVBDKRHBBHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11(16)8-4-7-10-13-12(14-17-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16).
What are the key properties of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid?
4-(3-phenyl-1,2,4-oxadiazol-5-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-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid is sourced from PubChem (CID 667252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).