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

C26H28N4O3 — CID 43072748

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC2(c3ccccc3)CCCC2)CC1
InChIInChI=1S/C26H28N4O3/c27-17-21-25(33-24(29-21)22-9-6-16-32-22)30-14-10-19(11-15-30)23(31)28-18-26(12-4-5-13-26)20-7-2-1-3-8-20/h1-3,6-9,16,19H,4-5,10-15,18H2,(H,28,31)
InChIKeyIOZGHCXNUKULDN-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.65
Rot. Bonds6

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide (PubChem CID 43072748) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
PubChem CID43072748
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC2(c3ccccc3)CCCC2)CC1
InChIInChI=1S/C26H28N4O3/c27-17-21-25(33-24(29-21)22-9-6-16-32-22)30-14-10-19(11-15-30)23(31)28-18-26(12-4-5-13-26)20-7-2-1-3-8-20/h1-3,6-9,16,19H,4-5,10-15,18H2,(H,28,31)
InChIKeyIOZGHCXNUKULDN-UHFFFAOYSA-N
XLogP4.65
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

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-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 49394486
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-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55600848
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide
CID 55631863
N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46600329
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'-(1H-pyrrole-2-carbonyl)piperidine-4-carbohydrazide
CID 78862319
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-[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

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide (CID 43072748) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC2(c3ccccc3)CCCC2)CC1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide?
The InChIKey is IOZGHCXNUKULDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c27-17-21-25(33-24(29-21)22-9-6-16-32-22)30-14-10-19(11-15-30)23(31)28-18-26(12-4-5-13-26)20-7-2-1-3-8-20/h1-3,6-9,16,19H,4-5,10-15,18H2,(H,28,31).
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.65, 6 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-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43072748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).