2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C10H8N4O4S — CID 3132283

IUPAC2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C10H8N4O4S/c11-8(15)5-19-10-13-12-9(18-10)6-1-3-7(4-2-6)14(16)17/h1-4H,5H2,(H2,11,15)
InChIKeyUERHHFWZFOLVBG-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.22
Rot. Bonds5

About 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 3132283) has the molecular formula C10H8N4O4S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID3132283
Molecular FormulaC10H8N4O4S
Molecular Weight280.27 g/mol
Exact Mass280.03
IUPAC Name2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1
InChIInChI=1S/C10H8N4O4S/c11-8(15)5-19-10-13-12-9(18-10)6-1-3-7(4-2-6)14(16)17/h1-4H,5H2,(H2,11,15)
InChIKeyUERHHFWZFOLVBG-UHFFFAOYSA-N
XLogP1.22
TPSA125.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,4'-(1,3,4-Oxadiazole-2,5-diyl)dianiline
CID 75505
2-(Methylthio)-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 697450
2-(4-Nitrophenyl)-5-phenyl-1,3,4-oxadiazole
CID 826997
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 818368
2,5-Bis-(4-nitro-phenyl)-(1,3,4)oxadiazole
CID 13971
2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole
CID 540416
2-(4-Nitrophenyl)-1,3,4-oxadiazole
CID 683939
2-(4-Nitrophenyl)-5-(prop-2-en-1-ylsulfanyl)-1,3,4-oxadiazole
CID 1981901
2-(4-Nitrophenyl)-5-(prop-2-yn-1-ylsulfanyl)-1,3,4-oxadiazole
CID 1984308
2-[(3,5-Dinitrophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 86301077
2-Benzylsulfanyl-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole
CID 137634376
2-(3,5-Dinitrophenyl)-5-propylsulfanyl-1,3,4-oxadiazole
CID 137644601

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 3132283) is 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1.
What is the InChIKey of 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is UERHHFWZFOLVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4S/c11-8(15)5-19-10-13-12-9(18-10)6-1-3-7(4-2-6)14(16)17/h1-4H,5H2,(H2,11,15).
What are the key properties of 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 280.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3132283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).