3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one

C14H15FN2O2 — CID 55200666

IUPAC3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one
SMILESCCC(C(C)=O)c1nc(Cc2ccccc2F)no1
InChIInChI=1S/C14H15FN2O2/c1-3-11(9(2)18)14-16-13(17-19-14)8-10-6-4-5-7-12(10)15/h4-7,11H,3,8H2,1-2H3
InChIKeyBOHIFOSFIVWLRZ-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.88
Rot. Bonds5

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

3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one (PubChem CID 55200666) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one.

Molecular Properties

Compound Name3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one
PubChem CID55200666
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one
SMILESCCC(C(C)=O)c1nc(Cc2ccccc2F)no1
InChIInChI=1S/C14H15FN2O2/c1-3-11(9(2)18)14-16-13(17-19-14)8-10-6-4-5-7-12(10)15/h4-7,11H,3,8H2,1-2H3
InChIKeyBOHIFOSFIVWLRZ-UHFFFAOYSA-N
XLogP2.88
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-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-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one?
The IUPAC name of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one (CID 55200666) is 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one.
What is the SMILES notation for 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one?
The canonical SMILES for 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one is CCC(C(C)=O)c1nc(Cc2ccccc2F)no1.
What is the InChIKey of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one?
The InChIKey is BOHIFOSFIVWLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-3-11(9(2)18)14-16-13(17-19-14)8-10-6-4-5-7-12(10)15/h4-7,11H,3,8H2,1-2H3.
What are the key properties of 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one?
3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one has a molecular weight of 262.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one is sourced from PubChem (CID 55200666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).