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

C21H19FN4O — CID 56763914

IUPAC2-[[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C21H19FN4O/c22-19-7-5-15(6-8-19)20-24-25-21(27-20)16-9-11-26(12-10-16)14-18-4-2-1-3-17(18)13-23/h1-8,16H,9-12,14H2
InChIKeyINZNHUYCAMGVNE-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.13
Rot. Bonds4

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

2-[[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile (PubChem CID 56763914) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile
PubChem CID56763914
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name2-[[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C21H19FN4O/c22-19-7-5-15(6-8-19)20-24-25-21(27-20)16-9-11-26(12-10-16)14-18-4-2-1-3-17(18)13-23/h1-8,16H,9-12,14H2
InChIKeyINZNHUYCAMGVNE-UHFFFAOYSA-N
XLogP4.13
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile (CID 56763914) is 2-[[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile is N#Cc1ccccc1CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1.
What is the InChIKey of 2-[[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is INZNHUYCAMGVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-19-7-5-15(6-8-19)20-24-25-21(27-20)16-9-11-26(12-10-16)14-18-4-2-1-3-17(18)13-23/h1-8,16H,9-12,14H2.
What are the key properties of 2-[[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile?
2-[[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile has a molecular weight of 362.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 56763914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).