5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide

C23H20N4O3 — CID 46944221

IUPAC5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc(C3CCCCN3C(=O)c3ccccc3)on2)c1
InChIInChI=1S/C23H20N4O3/c24-15-16-7-6-10-18(13-16)25-22(28)19-14-21(30-26-19)20-11-4-5-12-27(20)23(29)17-8-2-1-3-9-17/h1-3,6-10,13-14,20H,4-5,11-12H2,(H,25,28)
InChIKeyMZBLFXSDTRRIMI-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.17
Rot. Bonds4

About 5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide

5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 46944221) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide
PubChem CID46944221
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc(C3CCCCN3C(=O)c3ccccc3)on2)c1
InChIInChI=1S/C23H20N4O3/c24-15-16-7-6-10-18(13-16)25-22(28)19-14-21(30-26-19)20-11-4-5-12-27(20)23(29)17-8-2-1-3-9-17/h1-3,6-10,13-14,20H,4-5,11-12H2,(H,25,28)
InChIKeyMZBLFXSDTRRIMI-UHFFFAOYSA-N
XLogP4.17
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407288
(2S)-N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51407287
N-(3-chloro-4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide
CID 46948198
N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090269
3-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]benzonitrile
CID 129397847
phenyl-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 95052006
N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 112852927
3-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 97011039
(2R)-N-(3-cyanophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 99818294
6-(azepan-1-yl)-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854430
3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 97011040
3-[2-(3,5-dimethylphenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 86951387

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide (CID 46944221) is 5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide is N#Cc1cccc(NC(=O)c2cc(C3CCCCN3C(=O)c3ccccc3)on2)c1.
What is the InChIKey of 5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is MZBLFXSDTRRIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c24-15-16-7-6-10-18(13-16)25-22(28)19-14-21(30-26-19)20-11-4-5-12-27(20)23(29)17-8-2-1-3-9-17/h1-3,6-10,13-14,20H,4-5,11-12H2,(H,25,28).
What are the key properties of 5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide?
5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzoylpiperidin-2-yl)-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46944221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).