2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone

C19H27N3O2S — CID 7957401

About 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone

2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone (PubChem CID 7957401) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone.

Molecular Properties

• Compound Name: 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
• PubChem CID: 7957401
• Molecular Formula: C19H27N3O2S
• Molecular Weight: 361.51 g/mol
• Exact Mass: 361.18
• IUPAC Name: 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
• SMILES: Cc1cc(C(=O)CSc2nnc(C3CCCCC3)o2)c(C)n1C(C)C
• InChI: InChI=1S/C19H27N3O2S/c1-12(2)22-13(3)10-16(14(22)4)17(23)11-25-19-21-20-18(24-19)15-8-6-5-7-9-15/h10,12,15H,5-9,11H2,1-4H3
• InChIKey: JJFWEUGEDIOUKZ-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 60.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	361.51
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone?

The IUPAC name of 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone (CID 7957401) is 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone.

What is the SMILES notation for 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone?

The canonical SMILES for 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone is Cc1cc(C(=O)CSc2nnc(C3CCCCC3)o2)c(C)n1C(C)C.

What is the InChIKey of 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone?

The InChIKey is JJFWEUGEDIOUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-12(2)22-13(3)10-16(14(22)4)17(23)11-25-19-21-20-18(24-19)15-8-6-5-7-9-15/h10,12,15H,5-9,11H2,1-4H3.

What are the key properties of 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone?

2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone has a molecular weight of 361.51 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone is sourced from PubChem (CID 7957401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).