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

C24H26N4O4 — CID 86943452

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(CCO)CCc2ccccc2)CC1
InChIInChI=1S/C24H26N4O4/c25-17-20-24(32-22(26-20)21-7-4-16-31-21)28-12-9-19(10-13-28)23(30)27(14-15-29)11-8-18-5-2-1-3-6-18/h1-7,16,19,29H,8-15H2
InChIKeyGABYTAPJIRWLKT-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.09
Rot. Bonds8

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 86943452) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID86943452
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(CCO)CCc2ccccc2)CC1
InChIInChI=1S/C24H26N4O4/c25-17-20-24(32-22(26-20)21-7-4-16-31-21)28-12-9-19(10-13-28)23(30)27(14-15-29)11-8-18-5-2-1-3-6-18/h1-7,16,19,29H,8-15H2
InChIKeyGABYTAPJIRWLKT-UHFFFAOYSA-N
XLogP3.09
TPSA106.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)piperidine-4-carboxamide (CID 86943452) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)piperidine-4-carboxamide is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N(CCO)CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is GABYTAPJIRWLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c25-17-20-24(32-22(26-20)21-7-4-16-31-21)28-12-9-19(10-13-28)23(30)27(14-15-29)11-8-18-5-2-1-3-6-18/h1-7,16,19,29H,8-15H2.
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-hydroxyethyl)-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 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-hydroxyethyl)-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 86943452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).