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

C14H14FN3O — CID 106523841

IUPAC4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile
SMILESCC(CCC#N)c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C14H14FN3O/c1-10(3-2-8-16)14-17-13(18-19-14)9-11-4-6-12(15)7-5-11/h4-7,10H,2-3,9H2,1H3
InChIKeyNFLHQDFATBKJJI-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.21
Rot. Bonds5

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

4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile (PubChem CID 106523841) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile.

Molecular Properties

Compound Name4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile
PubChem CID106523841
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile
SMILESCC(CCC#N)c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C14H14FN3O/c1-10(3-2-8-16)14-17-13(18-19-14)9-11-4-6-12(15)7-5-11/h4-7,10H,2-3,9H2,1H3
InChIKeyNFLHQDFATBKJJI-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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Related Compounds

3-Phenyl-5-(propan-2-yl)-1,2,4-oxadiazole
CID 12710734
2-(3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile
CID 3858087
3-(Diphenylmethyl)-1,2,4-oxadiazole-5-acetonitrile
CID 4962192
3-Benzyl-5-(3-phenylpropyl)-1,2,4-oxadiazole
CID 145961274
3-(4-Fluorophenyl)-5-propyl-1,2,4-oxadiazole
CID 3582743
(3R)-3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
CID 60143273
5-Cyclohexyl-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 817380
5-[2-(3,4-Difluorophenyl)ethyl]-3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazole
CID 72868526
[3-(4-Fluorobenzoyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 13576488
2-(3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl)acetonitrile
CID 2463139
(3-Phenyl-1,2,4-oxadiazol-5-yl)acetonitrile
CID 2512364
1,2,4-Oxadiazole, 5-methyl-3-(phenylmethyl)-
CID 12481940

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile?
The IUPAC name of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile (CID 106523841) is 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile.
What is the SMILES notation for 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile?
The canonical SMILES for 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile is CC(CCC#N)c1nc(Cc2ccc(F)cc2)no1.
What is the InChIKey of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile?
The InChIKey is NFLHQDFATBKJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-10(3-2-8-16)14-17-13(18-19-14)9-11-4-6-12(15)7-5-11/h4-7,10H,2-3,9H2,1H3.
What are the key properties of 4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile?
4-[3-[(4-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-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile is sourced from PubChem (CID 106523841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).