1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide

C25H27N5O4 — CID 46436242

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)c1
InChIInChI=1S/C25H27N5O4/c1-15-11-16(2)22(17(3)12-15)29-21(31)14-27-23(32)18-6-8-30(9-7-18)25-19(13-26)28-24(34-25)20-5-4-10-33-20/h4-5,10-12,18H,6-9,14H2,1-3H3,(H,27,32)(H,29,31)
InChIKeyHOXZIUDKZGZGHK-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.70
Rot. Bonds6

About 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide (PubChem CID 46436242) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
PubChem CID46436242
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)c1
InChIInChI=1S/C25H27N5O4/c1-15-11-16(2)22(17(3)12-15)29-21(31)14-27-23(32)18-6-8-30(9-7-18)25-19(13-26)28-24(34-25)20-5-4-10-33-20/h4-5,10-12,18H,6-9,14H2,1-3H3,(H,27,32)(H,29,31)
InChIKeyHOXZIUDKZGZGHK-UHFFFAOYSA-N
XLogP3.70
TPSA124.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-(2-cyclohexylethyl)piperidine-4-carboxamide
CID 46439610
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-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 43072707
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-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 46437822
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 56559097
N-(4-butoxy-2-methylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 55974424
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'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide
CID 46408047
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-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46600403

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide?
The IUPAC name of 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) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide is Cc1cc(C)c(NC(=O)CNC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(C)c1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide?
The InChIKey is HOXZIUDKZGZGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-15-11-16(2)22(17(3)12-15)29-21(31)14-27-23(32)18-6-8-30(9-7-18)25-19(13-26)28-24(34-25)20-5-4-10-33-20/h4-5,10-12,18H,6-9,14H2,1-3H3,(H,27,32)(H,29,31).
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46436242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).