N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C18H27N5O2S — CID 55396096

About N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 55396096) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
• PubChem CID: 55396096
• Molecular Formula: C18H27N5O2S
• Molecular Weight: 377.51 g/mol
• Exact Mass: 377.19
• IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
• SMILES: CSc1nnc(CCCNC(=O)Cc2c(C)noc2C)n1C1CCCC1
• InChI: InChI=1S/C18H27N5O2S/c1-12-15(13(2)25-22-12)11-17(24)19-10-6-9-16-20-21-18(26-3)23(16)14-7-4-5-8-14/h14H,4-11H2,1-3H3,(H,19,24)
• InChIKey: ADAZDUGHFWXBJV-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.51
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?

The IUPAC name of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 55396096) is N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

What is the SMILES notation for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?

The canonical SMILES for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is CSc1nnc(CCCNC(=O)Cc2c(C)noc2C)n1C1CCCC1.

What is the InChIKey of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?

The InChIKey is ADAZDUGHFWXBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-12-15(13(2)25-22-12)11-17(24)19-10-6-9-16-20-21-18(26-3)23(16)14-7-4-5-8-14/h14H,4-11H2,1-3H3,(H,19,24).

What are the key properties of N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?

N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 377.51 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 55396096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).