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

C19H19N5O2 — CID 11268103

IUPAC3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
SMILESCc1cc(CN2CCCCC2c2nc(-c3cccc(C#N)c3)no2)no1
InChIInChI=1S/C19H19N5O2/c1-13-9-16(22-25-13)12-24-8-3-2-7-17(24)19-21-18(23-26-19)15-6-4-5-14(10-15)11-20/h4-6,9-10,17H,2-3,7-8,12H2,1H3
InChIKeyVSYLJWGNIYANDB-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.63
Rot. Bonds4

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

3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile (PubChem CID 11268103) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
PubChem CID11268103
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
SMILESCc1cc(CN2CCCCC2c2nc(-c3cccc(C#N)c3)no2)no1
InChIInChI=1S/C19H19N5O2/c1-13-9-16(22-25-13)12-24-8-3-2-7-17(24)19-21-18(23-26-19)15-6-4-5-14(10-15)11-20/h4-6,9-10,17H,2-3,7-8,12H2,1H3
InChIKeyVSYLJWGNIYANDB-UHFFFAOYSA-N
XLogP3.63
TPSA91.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
CID 11326461
5-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 97211961
3-[5-[(2S,5S)-5-methyl-1-(pyridin-2-ylmethyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
CID 11485175
3-[5-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]-1,2,4-oxadiazol-3-yl]benzonitrile
CID 129385924
(2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407287
(2R)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407288
(2S)-N-(4-cyanophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7296755
5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95110503
N-[5-[5-[(2S)-1-[(3-cyanophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-4-methoxybenzamide
CID 51136873
5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129000090
3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95275327
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile?
The IUPAC name of 3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile (CID 11268103) is 3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile.
What is the SMILES notation for 3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile?
The canonical SMILES for 3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile is Cc1cc(CN2CCCCC2c2nc(-c3cccc(C#N)c3)no2)no1.
What is the InChIKey of 3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile?
The InChIKey is VSYLJWGNIYANDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-9-16(22-25-13)12-24-8-3-2-7-17(24)19-21-18(23-26-19)15-6-4-5-14(10-15)11-20/h4-6,9-10,17H,2-3,7-8,12H2,1H3.
What are the key properties of 3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile?
3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile has a molecular weight of 349.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzonitrile is sourced from PubChem (CID 11268103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).