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

C18H15FN6O3S — CID 3214029

IUPAC2-[[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
SMILESCc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN6O3S/c1-10-16(24-28-23-10)20-15(26)9-29-18-22-21-17(14-7-8-27-11(14)2)25(18)13-5-3-12(19)4-6-13/h3-8H,9H2,1-2H3,(H,20,24,26)
InChIKeyWZKSWWQKMPFBLQ-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.40
Rot. Bonds6

About 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

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 (PubChem CID 3214029) has the molecular formula C18H15FN6O3S and a molecular weight of 414.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID3214029
Molecular FormulaC18H15FN6O3S
Molecular Weight414.42 g/mol
Exact Mass414.09
IUPAC Name2-[[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
SMILESCc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN6O3S/c1-10-16(24-28-23-10)20-15(26)9-29-18-22-21-17(14-7-8-27-11(14)2)25(18)13-5-3-12(19)4-6-13/h3-8H,9H2,1-2H3,(H,20,24,26)
InChIKeyWZKSWWQKMPFBLQ-UHFFFAOYSA-N
XLogP3.40
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 3152891
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[5-(2-methyl-furan-3-yl)-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 645856
2-{4-Furan-2-ylmethyl-5-[(3-trifluoromethyl-phenylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 651094
2-[5-(2-Methyl-furan-3-yl)-4-m-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(5-methyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 651819
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-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 3213602
N-(3-Fluorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(2-methylfuran-3-YL)-1,2,4-triazol-3-YL]sulfanyl}acetamide
CID 3213793
2-[4-(4-Methoxy-phenyl)-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-methyl-thiazol-2-yl)-acetamide
CID 3213865
N-(4-fluorophenyl)-2-[[4-(furan-2-ylmethyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3213958
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(F)cc1.
What is the InChIKey of 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?
The InChIKey is WZKSWWQKMPFBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O3S/c1-10-16(24-28-23-10)20-15(26)9-29-18-22-21-17(14-7-8-27-11(14)2)25(18)13-5-3-12(19)4-6-13/h3-8H,9H2,1-2H3,(H,20,24,26).
What are the key properties of 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?
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 has a molecular weight of 414.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 3214029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).