3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one

C14H15FN2O2 — CID 63344219

IUPAC3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
SMILESCCC(C(C)=O)c1nc(-c2cc(F)ccc2C)no1
InChIInChI=1S/C14H15FN2O2/c1-4-11(9(3)18)14-16-13(17-19-14)12-7-10(15)6-5-8(12)2/h5-7,11H,4H2,1-3H3
InChIKeyWZCYZVVYSCOPOC-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.27
Rot. Bonds4

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

3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one (PubChem CID 63344219) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one.

Molecular Properties

Compound Name3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
PubChem CID63344219
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
SMILESCCC(C(C)=O)c1nc(-c2cc(F)ccc2C)no1
InChIInChI=1S/C14H15FN2O2/c1-4-11(9(3)18)14-16-13(17-19-14)12-7-10(15)6-5-8(12)2/h5-7,11H,4H2,1-3H3
InChIKeyWZCYZVVYSCOPOC-UHFFFAOYSA-N
XLogP3.27
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one?
The IUPAC name of 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one (CID 63344219) is 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one.
What is the SMILES notation for 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one?
The canonical SMILES for 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one is CCC(C(C)=O)c1nc(-c2cc(F)ccc2C)no1.
What is the InChIKey of 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one?
The InChIKey is WZCYZVVYSCOPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-4-11(9(3)18)14-16-13(17-19-14)12-7-10(15)6-5-8(12)2/h5-7,11H,4H2,1-3H3.
What are the key properties of 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one?
3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one has a molecular weight of 262.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one is sourced from PubChem (CID 63344219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).