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

C24H26N4O3 — CID 46600715

IUPACN-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1
InChIInChI=1S/C24H26N4O3/c1-24(2,3)17-6-8-18(9-7-17)26-21(29)16-10-12-28(13-11-16)23-19(15-25)27-22(31-23)20-5-4-14-30-20/h4-9,14,16H,10-13H2,1-3H3,(H,26,29)
InChIKeyKVJVOPIFHANATE-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.96
Rot. Bonds4

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

N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 46600715) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID46600715
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1
InChIInChI=1S/C24H26N4O3/c1-24(2,3)17-6-8-18(9-7-17)26-21(29)16-10-12-28(13-11-16)23-19(15-25)27-22(31-23)20-5-4-14-30-20/h4-9,14,16H,10-13H2,1-3H3,(H,26,29)
InChIKeyKVJVOPIFHANATE-UHFFFAOYSA-N
XLogP4.96
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

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-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46600403
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
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-methylcyclohexyl)piperidine-4-carboxamide
CID 46437822
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 55629250
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-[2-(methoxymethyl)phenyl]piperidine-4-carboxamide
CID 55780102
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-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 49394486

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 46600715) is N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is CC(C)(C)c1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is KVJVOPIFHANATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-24(2,3)17-6-8-18(9-7-17)26-21(29)16-10-12-28(13-11-16)23-19(15-25)27-22(31-23)20-5-4-14-30-20/h4-9,14,16H,10-13H2,1-3H3,(H,26,29).
What are the key properties of N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46600715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).