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

C21H26N4O3 — CID 46437822

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1
InChIInChI=1S/C21H26N4O3/c1-14-4-6-16(7-5-14)23-19(26)15-8-10-25(11-9-15)21-17(13-22)24-20(28-21)18-3-2-12-27-18/h2-3,12,14-16H,4-11H2,1H3,(H,23,26)
InChIKeyQUNCFBYXHRAMPG-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.72
Rot. Bonds4

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide (PubChem CID 46437822) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
PubChem CID46437822
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
SMILESCC1CCC(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1
InChIInChI=1S/C21H26N4O3/c1-14-4-6-16(7-5-14)23-19(26)15-8-10-25(11-9-15)21-17(13-22)24-20(28-21)18-3-2-12-27-18/h2-3,12,14-16H,4-11H2,1H3,(H,23,26)
InChIKeyQUNCFBYXHRAMPG-UHFFFAOYSA-N
XLogP3.72
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 43072707
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-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 49394486
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide
CID 55631863
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide
CID 78862319
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-cyclohexylethyl)piperidine-4-carboxamide
CID 46439610
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-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46600403
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-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 43072748
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-[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-methylcyclohexyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide (CID 46437822) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide is CC1CCC(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
The InChIKey is QUNCFBYXHRAMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-4-6-16(7-5-14)23-19(26)15-8-10-25(11-9-15)21-17(13-22)24-20(28-21)18-3-2-12-27-18/h2-3,12,14-16H,4-11H2,1H3,(H,23,26).
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-methylcyclohexyl)piperidine-4-carboxamide is sourced from PubChem (CID 46437822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).