2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide

C20H18ClFN4O2 — CID 5001867

IUPAC2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C20H18ClFN4O2/c21-14-6-3-5-13(11-14)18-24-19(28-25-18)17-9-1-2-10-26(17)20(27)23-16-8-4-7-15(22)12-16/h3-8,11-12,17H,1-2,9-10H2,(H,23,27)
InChIKeyHGZUNCKTIZNTSU-UHFFFAOYSA-N
MW400.84 g/mol
LogP5.29
Rot. Bonds3

About 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide

2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide (PubChem CID 5001867) has the molecular formula C20H18ClFN4O2 and a molecular weight of 400.84 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
PubChem CID5001867
Molecular FormulaC20H18ClFN4O2
Molecular Weight400.84 g/mol
Exact Mass400.11
IUPAC Name2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C20H18ClFN4O2/c21-14-6-3-5-13(11-14)18-24-19(28-25-18)17-9-1-2-10-26(17)20(27)23-16-8-4-7-15(22)12-16/h3-8,11-12,17H,1-2,9-10H2,(H,23,27)
InChIKeyHGZUNCKTIZNTSU-UHFFFAOYSA-N
XLogP5.29
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.84
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 5130842
(2R)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057703
(2S)-N-(3-fluorophenyl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057702
(2S)-N-(3-fluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7295920
N-(3-chloro-4-fluorophenyl)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4637876
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 5009552
(2S)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 95057715
(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 7262323
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 4006841
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 3294802
(2R)-N-(3-methylphenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7362376
(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 7373907

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide (CID 5001867) is 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is HGZUNCKTIZNTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O2/c21-14-6-3-5-13(11-14)18-24-19(28-25-18)17-9-1-2-10-26(17)20(27)23-16-8-4-7-15(22)12-16/h3-8,11-12,17H,1-2,9-10H2,(H,23,27).
What are the key properties of 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide?
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 400.84 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 5001867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).