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

C15H15FN4O — CID 71924088

IUPAC5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile
SMILESCc1nc(C2CCN(c3ccc(F)cc3C#N)CC2)no1
InChIInChI=1S/C15H15FN4O/c1-10-18-15(19-21-10)11-4-6-20(7-5-11)14-3-2-13(16)8-12(14)9-17/h2-3,8,11H,4-7H2,1H3
InChIKeySERPYMHXXDCJEQ-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.77
Rot. Bonds2

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

5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile (PubChem CID 71924088) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile
PubChem CID71924088
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile
SMILESCc1nc(C2CCN(c3ccc(F)cc3C#N)CC2)no1
InChIInChI=1S/C15H15FN4O/c1-10-18-15(19-21-10)11-4-6-20(7-5-11)14-3-2-13(16)8-12(14)9-17/h2-3,8,11H,4-7H2,1H3
InChIKeySERPYMHXXDCJEQ-UHFFFAOYSA-N
XLogP2.77
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 133284808
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 63978241
5-methyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 95817184
4-chloro-2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile
CID 133475002
5-fluoro-2-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
CID 63668522
5-fluoro-2-(3-methoxypyrrolidin-1-yl)benzonitrile
CID 103533377
5-fluoro-2-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 133458843
methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate
CID 63673144
5-fluoro-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]benzonitrile
CID 84596123
5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 75384063
5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzonitrile
CID 63667343
2-(4-acetylpiperazin-1-yl)-5-fluorobenzonitrile
CID 63669542

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile?
The IUPAC name of 5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile (CID 71924088) is 5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile?
The canonical SMILES for 5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile is Cc1nc(C2CCN(c3ccc(F)cc3C#N)CC2)no1.
What is the InChIKey of 5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile?
The InChIKey is SERPYMHXXDCJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-10-18-15(19-21-10)11-4-6-20(7-5-11)14-3-2-13(16)8-12(14)9-17/h2-3,8,11H,4-7H2,1H3.
What are the key properties of 5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile?
5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile has a molecular weight of 286.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]benzonitrile is sourced from PubChem (CID 71924088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).