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

C14H15FN2O2 — CID 55222422

IUPAC2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one
SMILESCCC(=O)C(C)c1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C14H15FN2O2/c1-3-12(18)9(2)14-16-13(17-19-14)8-10-5-4-6-11(15)7-10/h4-7,9H,3,8H2,1-2H3
InChIKeyBPVQPIZMVONRKT-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.88
Rot. Bonds5

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

2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one (PubChem CID 55222422) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one.

Molecular Properties

Compound Name2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one
PubChem CID55222422
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one
SMILESCCC(=O)C(C)c1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C14H15FN2O2/c1-3-12(18)9(2)14-16-13(17-19-14)8-10-5-4-6-11(15)7-10/h4-7,9H,3,8H2,1-2H3
InChIKeyBPVQPIZMVONRKT-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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one?
The IUPAC name of 2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one (CID 55222422) is 2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one.
What is the SMILES notation for 2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one?
The canonical SMILES for 2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one is CCC(=O)C(C)c1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of 2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one?
The InChIKey is BPVQPIZMVONRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-3-12(18)9(2)14-16-13(17-19-14)8-10-5-4-6-11(15)7-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one?
2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-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 2-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-one is sourced from PubChem (CID 55222422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).