1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide

C22H22N4O5S — CID 55670124

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1
InChIInChI=1S/C22H22N4O5S/c1-2-32(28,29)19-8-4-3-6-16(19)24-20(27)15-9-11-26(12-10-15)22-17(14-23)25-21(31-22)18-7-5-13-30-18/h3-8,13,15H,2,9-12H2,1H3,(H,24,27)
InChIKeyVICMLHZTQKBLCC-UHFFFAOYSA-N
MW454.51 g/mol
LogP3.45
Rot. Bonds6

About 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 55670124) has the molecular formula C22H22N4O5S and a molecular weight of 454.51 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID55670124
Molecular FormulaC22H22N4O5S
Molecular Weight454.51 g/mol
Exact Mass454.13
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1
InChIInChI=1S/C22H22N4O5S/c1-2-32(28,29)19-8-4-3-6-16(19)24-20(27)15-9-11-26(12-10-15)22-17(14-23)25-21(31-22)18-7-5-13-30-18/h3-8,13,15H,2,9-12H2,1H3,(H,24,27)
InChIKeyVICMLHZTQKBLCC-UHFFFAOYSA-N
XLogP3.45
TPSA129.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(methoxymethyl)phenyl]piperidine-4-carboxamide
CID 55780102
N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46600715
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide
CID 55678391
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 43072707
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 55907630
N-(4-butoxy-2-methylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 55974424
N-(3-chloro-2,6-diethylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46436027
N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46600329
methyl 2-[[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]thiophene-3-carboxylate
CID 55877581
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-fluoro-5-nitrophenyl)piperidine-4-carboxamide
CID 52696100
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 46437822
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-phenylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 60521803

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide (CID 55670124) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide is CCS(=O)(=O)c1ccccc1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is VICMLHZTQKBLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S/c1-2-32(28,29)19-8-4-3-6-16(19)24-20(27)15-9-11-26(12-10-15)22-17(14-23)25-21(31-22)18-7-5-13-30-18/h3-8,13,15H,2,9-12H2,1H3,(H,24,27).
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 454.51 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55670124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).