N-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

C16H20N2O5S — CID 55521334

IUPACN-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCCCN(C(=O)c1cc(-c2ccco2)on1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H20N2O5S/c1-2-3-7-18(12-6-9-24(20,21)11-12)16(19)13-10-15(23-17-13)14-5-4-8-22-14/h4-5,8,10,12H,2-3,6-7,9,11H2,1H3
InChIKeyLCLPBXFEXURZTI-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.36
Rot. Bonds6

About N-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

N-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 55521334) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is N-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID55521334
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC NameN-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCCCCN(C(=O)c1cc(-c2ccco2)on1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H20N2O5S/c1-2-3-7-18(12-6-9-24(20,21)11-12)16(19)13-10-15(23-17-13)14-5-4-8-22-14/h4-5,8,10,12H,2-3,6-7,9,11H2,1H3
InChIKeyLCLPBXFEXURZTI-UHFFFAOYSA-N
XLogP2.36
TPSA93.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[butyl-(1,1-dioxothiolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119179473
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 134026793
N-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 62046166
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-iodobenzamide
CID 55377393
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(furan-2-yl)prop-2-enamide
CID 102603881
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]thiophene-2-carboxamide
CID 7259974
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzamide
CID 7259541
N-butyl-N-(1,1-dioxothiolan-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55984401
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(trifluoromethyl)benzamide
CID 18573610
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide
CID 18573594
N-butyl-N-(1,1-dioxothiolan-3-yl)-5-hydroxypyridine-3-carboxamide
CID 63858695
N-butyl-1-(3-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
CID 55924358

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 55521334) is N-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is CCCCN(C(=O)c1cc(-c2ccco2)on1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is LCLPBXFEXURZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-2-3-7-18(12-6-9-24(20,21)11-12)16(19)13-10-15(23-17-13)14-5-4-8-22-14/h4-5,8,10,12H,2-3,6-7,9,11H2,1H3.
What are the key properties of N-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55521334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).