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

C14H14FN3O — CID 106524147

IUPAC4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile
SMILESCC(CCC#N)c1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C14H14FN3O/c1-10(4-3-7-16)14-17-13(18-19-14)9-11-5-2-6-12(15)8-11/h2,5-6,8,10H,3-4,9H2,1H3
InChIKeyBWJHAPMLUWKRER-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.21
Rot. Bonds5

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

4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile (PubChem CID 106524147) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile.

Molecular Properties

Compound Name4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile
PubChem CID106524147
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile
SMILESCC(CCC#N)c1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C14H14FN3O/c1-10(4-3-7-16)14-17-13(18-19-14)9-11-5-2-6-12(15)8-11/h2,5-6,8,10H,3-4,9H2,1H3
InChIKeyBWJHAPMLUWKRER-UHFFFAOYSA-N
XLogP3.21
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile?
The IUPAC name of 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile (CID 106524147) is 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile.
What is the SMILES notation for 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile?
The canonical SMILES for 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile is CC(CCC#N)c1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile?
The InChIKey is BWJHAPMLUWKRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-10(4-3-7-16)14-17-13(18-19-14)9-11-5-2-6-12(15)8-11/h2,5-6,8,10H,3-4,9H2,1H3.
What are the key properties of 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile?
4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile has a molecular weight of 259.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile is sourced from PubChem (CID 106524147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).