3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one

C15H17FN2O2 — CID 64770540

IUPAC3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one
SMILESCC(=O)C(C)c1nc(C(C)(C)c2ccc(F)cc2)no1
InChIInChI=1S/C15H17FN2O2/c1-9(10(2)19)13-17-14(18-20-13)15(3,4)11-5-7-12(16)8-6-11/h5-9H,1-4H3
InChIKeyUACNHIRAOUCINR-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.23
Rot. Bonds4

About 3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one

3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one (PubChem CID 64770540) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one.

Molecular Properties

Compound Name3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one
PubChem CID64770540
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one
SMILESCC(=O)C(C)c1nc(C(C)(C)c2ccc(F)cc2)no1
InChIInChI=1S/C15H17FN2O2/c1-9(10(2)19)13-17-14(18-20-13)15(3,4)11-5-7-12(16)8-6-11/h5-9H,1-4H3
InChIKeyUACNHIRAOUCINR-UHFFFAOYSA-N
XLogP3.23
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one 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-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one?
The IUPAC name of 3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one (CID 64770540) is 3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one.
What is the SMILES notation for 3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one?
The canonical SMILES for 3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one is CC(=O)C(C)c1nc(C(C)(C)c2ccc(F)cc2)no1.
What is the InChIKey of 3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one?
The InChIKey is UACNHIRAOUCINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-9(10(2)19)13-17-14(18-20-13)15(3,4)11-5-7-12(16)8-6-11/h5-9H,1-4H3.
What are the key properties of 3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one?
3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one has a molecular weight of 276.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]butan-2-one is sourced from PubChem (CID 64770540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).