2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone

C20H19ClN4O2 — CID 46965540

IUPAC2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCCC(c2noc(-c3ccccn3)n2)C1
InChIInChI=1S/C20H19ClN4O2/c21-16-7-3-5-14(11-16)12-18(26)25-10-4-6-15(13-25)19-23-20(27-24-19)17-8-1-2-9-22-17/h1-3,5,7-9,11,15H,4,6,10,12-13H2
InChIKeyAFVQPIGHSSMTRZ-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.73
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone

2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 46965540) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
PubChem CID46965540
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCCC(c2noc(-c3ccccn3)n2)C1
InChIInChI=1S/C20H19ClN4O2/c21-16-7-3-5-14(11-16)12-18(26)25-10-4-6-15(13-25)19-23-20(27-24-19)17-8-1-2-9-22-17/h1-3,5,7-9,11,15H,4,6,10,12-13H2
InChIKeyAFVQPIGHSSMTRZ-UHFFFAOYSA-N
XLogP3.73
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

3-(3-chloro-1,2-oxazol-5-yl)-1-[(3S)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 51501232
1-[2-oxo-2-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 51503012
2-(2-fluorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 91915243
(3-methyl-1,2-oxazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 16672677
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 51503010
2-(3-chlorophenyl)-1-[(3R)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]ethanone
CID 99757607
2-(3,4-dimethoxyphenyl)-1-[(3S)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 95849787
1-[(3R)-3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819827
2-(3-chlorophenyl)-1-[(3R)-3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 7451312
1-[3-(3-chlorophenyl)azetidin-1-yl]-2-quinolin-6-ylethanone
CID 167832627
2-(3-chlorophenyl)-1-[(3S)-3-[2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]ethanone
CID 95801779
1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone
CID 62504630

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone (CID 46965540) is 2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone is O=C(Cc1cccc(Cl)c1)N1CCCC(c2noc(-c3ccccn3)n2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is AFVQPIGHSSMTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-16-7-3-5-14(11-16)12-18(26)25-10-4-6-15(13-25)19-23-20(27-24-19)17-8-1-2-9-22-17/h1-3,5,7-9,11,15H,4,6,10,12-13H2.
What are the key properties of 2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 382.85 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 46965540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).