2-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile

C16H15F3N4O — CID 71793482

IUPAC2-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)15-22-21-14(24-15)11-5-7-23(8-6-11)10-13-4-2-1-3-12(13)9-20/h1-4,11H,5-8,10H2
InChIKeyPZICQTYKRIPDFY-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.34
Rot. Bonds3

About 2-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile

2-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile (PubChem CID 71793482) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 2-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile
PubChem CID71793482
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name2-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)15-22-21-14(24-15)11-5-7-23(8-6-11)10-13-4-2-1-3-12(13)9-20/h1-4,11H,5-8,10H2
InChIKeyPZICQTYKRIPDFY-UHFFFAOYSA-N
XLogP3.34
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-(5-Isopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 44062002
2-Isopropyl-5-(1-(3-(trifluoromethyl)benzyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 49669471
1-[(3-Fluorophenyl)methyl]-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine
CID 71793483
2-Isopropyl-5-(1-(4-(trifluoromethyl)benzyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 49702625
2-(1-(3-Fluorobenzyl)piperidin-4-yl)-5-isopropyl-1,3,4-oxadiazole
CID 49702629
2-(1-(4-Fluorobenzyl)piperidin-4-yl)-5-isopropyl-1,3,4-oxadiazole
CID 49702633
2-Cyclopropyl-5-(1-(4-(trifluoromethyl)benzyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 49702787
2-Cyclopropyl-5-(1-(3-(trifluoromethyl)benzyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 49702788
2-Cyclopropyl-5-(1-(3-fluorobenzyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 49702792
2-Cyclopropyl-5-(1-(4-fluorobenzyl)piperidin-4-yl)-1,3,4-oxadiazole
CID 49702797
o-Tolyl(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 90539837
(4-(5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 90539876

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile (CID 71793482) is 2-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile is N#Cc1ccccc1CN1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of 2-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is PZICQTYKRIPDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c17-16(18,19)15-22-21-14(24-15)11-5-7-23(8-6-11)10-13-4-2-1-3-12(13)9-20/h1-4,11H,5-8,10H2.
What are the key properties of 2-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile?
2-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile has a molecular weight of 336.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 71793482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).