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

C25H26ClN5O4 — CID 34749875

IUPACN-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1Cl
InChIInChI=1S/C25H26ClN5O4/c1-3-30(4-2)24(33)18-8-7-17(14-19(18)26)28-22(32)16-9-11-31(12-10-16)25-20(15-27)29-23(35-25)21-6-5-13-34-21/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,28,32)
InChIKeyILYZIVSMCVIQPL-UHFFFAOYSA-N
MW495.97 g/mol
LogP4.80
Rot. Bonds7

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

N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 34749875) has the molecular formula C25H26ClN5O4 and a molecular weight of 495.97 g/mol. Its IUPAC name is N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID34749875
Molecular FormulaC25H26ClN5O4
Molecular Weight495.97 g/mol
Exact Mass495.17
IUPAC NameN-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1Cl
InChIInChI=1S/C25H26ClN5O4/c1-3-30(4-2)24(33)18-8-7-17(14-19(18)26)28-22(32)16-9-11-31(12-10-16)25-20(15-27)29-23(35-25)21-6-5-13-34-21/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,28,32)
InChIKeyILYZIVSMCVIQPL-UHFFFAOYSA-N
XLogP4.80
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.97
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-[3-[(2-methoxyacetyl)amino]phenyl]piperidine-4-carboxamide
CID 46436267
N-(3-chloro-2,6-diethylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46436027
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-ethylsulfonylphenyl)piperidine-4-carboxamide
CID 55670124
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide
CID 55678391
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
N-[1-(3-chlorophenyl)ethyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46600889
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 46436242
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 49394486

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 34749875) is N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is ILYZIVSMCVIQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O4/c1-3-30(4-2)24(33)18-8-7-17(14-19(18)26)28-22(32)16-9-11-31(12-10-16)25-20(15-27)29-23(35-25)21-6-5-13-34-21/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,28,32).
What are the key properties of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 495.97 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 34749875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).