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

C24H25N5O5S — CID 166328641

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)CC1
InChIInChI=1S/C24H25N5O5S/c25-15-20-24(34-23(27-20)21-6-2-12-33-21)28-10-7-18(8-11-28)22(30)26-19-5-1-4-17(14-19)16-29-9-3-13-35(29,31)32/h1-2,4-6,12,14,18H,3,7-11,13,16H2,(H,26,30)
InChIKeyNGEYHXUCKRHJCF-UHFFFAOYSA-N
MW495.56 g/mol
LogP3.20
Rot. Bonds6

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

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]piperidine-4-carboxamide (PubChem CID 166328641) has the molecular formula C24H25N5O5S and a molecular weight of 495.56 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]piperidine-4-carboxamide
PubChem CID166328641
Molecular FormulaC24H25N5O5S
Molecular Weight495.56 g/mol
Exact Mass495.16
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)CC1
InChIInChI=1S/C24H25N5O5S/c25-15-20-24(34-23(27-20)21-6-2-12-33-21)28-10-7-18(8-11-28)22(30)26-19-5-1-4-17(14-19)16-29-9-3-13-35(29,31)32/h1-2,4-6,12,14,18H,3,7-11,13,16H2,(H,26,30)
InChIKeyNGEYHXUCKRHJCF-UHFFFAOYSA-N
XLogP3.20
TPSA132.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]piperidine-4-carboxamide (CID 166328641) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]piperidine-4-carboxamide is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)CC1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]piperidine-4-carboxamide?
The InChIKey is NGEYHXUCKRHJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5S/c25-15-20-24(34-23(27-20)21-6-2-12-33-21)28-10-7-18(8-11-28)22(30)26-19-5-1-4-17(14-19)16-29-9-3-13-35(29,31)32/h1-2,4-6,12,14,18H,3,7-11,13,16H2,(H,26,30).
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]piperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]piperidine-4-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 166328641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).