2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

C16H22N6O2S — CID 47073035

About 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (PubChem CID 47073035) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
• PubChem CID: 47073035
• Molecular Formula: C16H22N6O2S
• Molecular Weight: 362.46 g/mol
• Exact Mass: 362.15
• IUPAC Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
• SMILES: C=CCn1c(SCC(=O)Nc2nc(C)no2)nnc1C1CCCCC1
• InChI: InChI=1S/C16H22N6O2S/c1-3-9-22-14(12-7-5-4-6-8-12)19-20-16(22)25-10-13(23)18-15-17-11(2)21-24-15/h3,12H,1,4-10H2,2H3,(H,17,18,21,23)
• InChIKey: SQEJIBLEVGFTEC-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 98.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.46
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?

The IUPAC name of 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (CID 47073035) is 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.

What is the SMILES notation for 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?

The canonical SMILES for 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is C=CCn1c(SCC(=O)Nc2nc(C)no2)nnc1C1CCCCC1.

What is the InChIKey of 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?

The InChIKey is SQEJIBLEVGFTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-3-9-22-14(12-7-5-4-6-8-12)19-20-16(22)25-10-13(23)18-15-17-11(2)21-24-15/h3,12H,1,4-10H2,2H3,(H,17,18,21,23).

What are the key properties of 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?

2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide has a molecular weight of 362.46 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is sourced from PubChem (CID 47073035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).