2-[[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide

C15H19ClN4O2S — CID 663213

IUPAC2-[[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
SMILESNCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1
InChIInChI=1S/C15H19ClN4O2S/c16-11-5-4-6-12(9-11)18-13(21)10-23-15-20-19-14(22-15)7-2-1-3-8-17/h4-6,9H,1-3,7-8,10,17H2,(H,18,21)
InChIKeyCQKNDDUHIBUGOT-UHFFFAOYSA-N
MW354.86 g/mol
LogP3.13
Rot. Bonds9

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

2-[[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide (PubChem CID 663213) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is 2-[[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
PubChem CID663213
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC Name2-[[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
SMILESNCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1
InChIInChI=1S/C15H19ClN4O2S/c16-11-5-4-6-12(9-11)18-13(21)10-23-15-20-19-14(22-15)7-2-1-3-8-17/h4-6,9H,1-3,7-8,10,17H2,(H,18,21)
InChIKeyCQKNDDUHIBUGOT-UHFFFAOYSA-N
XLogP3.13
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide (CID 663213) is 2-[[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide is NCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1.
What is the InChIKey of 2-[[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide?
The InChIKey is CQKNDDUHIBUGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S/c16-11-5-4-6-12(9-11)18-13(21)10-23-15-20-19-14(22-15)7-2-1-3-8-17/h4-6,9H,1-3,7-8,10,17H2,(H,18,21).
What are the key properties of 2-[[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide?
2-[[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide has a molecular weight of 354.86 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-aminopentyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 663213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).