2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide

C10H8N6O4S — CID 5228177

IUPAC2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
SMILESO=C(CSc1nnc(-c2ccco2)o1)Nn1cn[nH]c1=O
InChIInChI=1S/C10H8N6O4S/c17-7(15-16-5-11-13-9(16)18)4-21-10-14-12-8(20-10)6-2-1-3-19-6/h1-3,5H,4H2,(H,13,18)(H,15,17)
InChIKeyKXDANHJMJGZMBH-UHFFFAOYSA-N
MW308.28 g/mol
LogP0.08
Rot. Bonds5

About 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide (PubChem CID 5228177) has the molecular formula C10H8N6O4S and a molecular weight of 308.28 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
PubChem CID5228177
Molecular FormulaC10H8N6O4S
Molecular Weight308.28 g/mol
Exact Mass308.03
IUPAC Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
SMILESO=C(CSc1nnc(-c2ccco2)o1)Nn1cn[nH]c1=O
InChIInChI=1S/C10H8N6O4S/c17-7(15-16-5-11-13-9(16)18)4-21-10-14-12-8(20-10)6-2-1-3-19-6/h1-3,5H,4H2,(H,13,18)(H,15,17)
InChIKeyKXDANHJMJGZMBH-UHFFFAOYSA-N
XLogP0.08
TPSA131.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 829031
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N-(cyclohexylmethyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4782802
2-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
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1-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 7808560
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CID 1303799
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2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 8851381
N-(2-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2972145
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 5053666
4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 7374199
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide (CID 5228177) is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide is O=C(CSc1nnc(-c2ccco2)o1)Nn1cn[nH]c1=O.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
The InChIKey is KXDANHJMJGZMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O4S/c17-7(15-16-5-11-13-9(16)18)4-21-10-14-12-8(20-10)6-2-1-3-19-6/h1-3,5H,4H2,(H,13,18)(H,15,17).
What are the key properties of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide?
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide has a molecular weight of 308.28 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 5228177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).