N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C17H17N3O5S — CID 51896540

IUPACN-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C17H17N3O5S/c21-15-9-26-17(23)20(15)12-5-2-1-4-10(12)18-16(22)11-8-14(25-19-11)13-6-3-7-24-13/h3,6-8,10,12H,1-2,4-5,9H2,(H,18,22)/t10-,12-/m1/s1
InChIKeyDHBVGTLXMALFQG-ZYHUDNBSSA-N
MW375.41 g/mol
LogP2.67
Rot. Bonds4

About N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 51896540) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID51896540
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C17H17N3O5S/c21-15-9-26-17(23)20(15)12-5-2-1-4-10(12)18-16(22)11-8-14(25-19-11)13-6-3-7-24-13/h3,6-8,10,12H,1-2,4-5,9H2,(H,18,22)/t10-,12-/m1/s1
InChIKeyDHBVGTLXMALFQG-ZYHUDNBSSA-N
XLogP2.67
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 100839328
N-[(1S,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
CID 51896525
N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
CID 51896523
N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 51896563
N-[(1S,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 35569327
N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-2-oxochromene-3-carboxamide
CID 35569573
5-(furan-2-yl)-N-(6-oxopiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 62491594
5-(furan-2-yl)-N-[(3R)-2-oxopiperidin-3-yl]-1,2-oxazole-3-carboxamide
CID 94363969
3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 51896602
methyl 4-[[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]carbamoyl]benzoate
CID 51896508
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119459139
N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 112817167

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 51896540) is N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1cc(-c2ccco2)on1.
What is the InChIKey of N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is DHBVGTLXMALFQG-ZYHUDNBSSA-N. The full InChI is InChI=1S/C17H17N3O5S/c21-15-9-26-17(23)20(15)12-5-2-1-4-10(12)18-16(22)11-8-14(25-19-11)13-6-3-7-24-13/h3,6-8,10,12H,1-2,4-5,9H2,(H,18,22)/t10-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51896540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).