2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C16H20N6O3S — CID 649096

IUPAC2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C
InChIInChI=1S/C16H20N6O3S/c1-9(2)7-22-15(12-5-6-24-11(12)4)18-19-16(22)26-8-13(23)17-14-10(3)20-25-21-14/h5-6,9H,7-8H2,1-4H3,(H,17,21,23)
InChIKeyNOJUHYYXRHIGBE-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.92
Rot. Bonds7

About 2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 649096) has the molecular formula C16H20N6O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID649096
Molecular FormulaC16H20N6O3S
Molecular Weight376.44 g/mol
Exact Mass376.13
IUPAC Name2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C
InChIInChI=1S/C16H20N6O3S/c1-9(2)7-22-15(12-5-6-24-11(12)4)18-19-16(22)26-8-13(23)17-14-10(3)20-25-21-14/h5-6,9H,7-8H2,1-4H3,(H,17,21,23)
InChIKeyNOJUHYYXRHIGBE-UHFFFAOYSA-N
XLogP2.92
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide with MolForge

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Related Compounds

2-[4-Isobutyl-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(5-methyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 654036
2-[5-(2-Methyl-furan-3-yl)-4-m-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-methyl-furazan-3-yl)-acetamide
CID 656133
2-[5-(2-Methyl-furan-3-yl)-4-propyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-methyl-furazan-3-yl)-acetamide
CID 656144
2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2567463
2-[4-(3-Chloro-phenyl)-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-methyl-furazan-3-yl)-acetamide
CID 3214031
N-(4-Methyl-furazan-3-yl)-2-[4-methyl-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 645540
2-[4-(2,5-Dimethyl-phenyl)-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-methyl-furazan-3-yl)-acetamide
CID 651746
2-{[4-Ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 654076
2-[4-Ethyl-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-methyl-furazan-3-yl)-acetamide
CID 647699
2-[[4-(4-fluorophenyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 3214029
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3213852
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[[4-(2-methoxyethyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3213854

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 649096) is 2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C.
What is the InChIKey of 2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is NOJUHYYXRHIGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3S/c1-9(2)7-22-15(12-5-6-24-11(12)4)18-19-16(22)26-8-13(23)17-14-10(3)20-25-21-14/h5-6,9H,7-8H2,1-4H3,(H,17,21,23).
What are the key properties of 2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 376.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 649096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).