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

C21H21N5O5S — CID 55678391

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)CC1
InChIInChI=1S/C21H21N5O5S/c22-12-17-21(31-20(25-17)18-2-1-11-30-18)26-9-7-15(8-10-26)19(27)24-16-5-3-14(4-6-16)13-32(23,28)29/h1-6,11,15H,7-10,13H2,(H,24,27)(H2,23,28,29)
InChIKeyNBQOXJTUXXMXLP-UHFFFAOYSA-N
MW455.50 g/mol
LogP2.45
Rot. Bonds6

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide (PubChem CID 55678391) has the molecular formula C21H21N5O5S and a molecular weight of 455.50 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide
PubChem CID55678391
Molecular FormulaC21H21N5O5S
Molecular Weight455.50 g/mol
Exact Mass455.13
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)CC1
InChIInChI=1S/C21H21N5O5S/c22-12-17-21(31-20(25-17)18-2-1-11-30-18)26-9-7-15(8-10-26)19(27)24-16-5-3-14(4-6-16)13-32(23,28)29/h1-6,11,15H,7-10,13H2,(H,24,27)(H2,23,28,29)
InChIKeyNBQOXJTUXXMXLP-UHFFFAOYSA-N
XLogP2.45
TPSA155.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide with MolForge

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Related Compounds

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-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46600403
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-ethylsulfonylphenyl)piperidine-4-carboxamide
CID 55670124
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 55629250
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide
CID 46408047
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-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide
CID 55854504
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(2-methoxyacetyl)amino]phenyl]piperidine-4-carboxamide
CID 46436267
N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46600329
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 34749875
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]piperidine-4-carboxamide
CID 166328641
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-(methoxymethyl)phenyl]piperidine-4-carboxamide
CID 55780102

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide (CID 55678391) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)CC1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is NBQOXJTUXXMXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O5S/c22-12-17-21(31-20(25-17)18-2-1-11-30-18)26-9-7-15(8-10-26)19(27)24-16-5-3-14(4-6-16)13-32(23,28)29/h1-6,11,15H,7-10,13H2,(H,24,27)(H2,23,28,29).
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 455.50 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 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-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55678391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).