N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C20H23N3O3S — CID 18193555

About N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 18193555) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 18193555
• Molecular Formula: C20H23N3O3S
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.15
• IUPAC Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• SMILES: COc1ccc(-c2nnc(SCC(=O)N(C3=CCCCC3)C3CC3)o2)cc1
• InChI: InChI=1S/C20H23N3O3S/c1-25-17-11-7-14(8-12-17)19-21-22-20(26-19)27-13-18(24)23(16-9-10-16)15-5-3-2-4-6-15/h5,7-8,11-12,16H,2-4,6,9-10,13H2,1H3
• InChIKey: UTUWSWDNOGYBCW-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 68.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 18193555) is N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(-c2nnc(SCC(=O)N(C3=CCCCC3)C3CC3)o2)cc1.

What is the InChIKey of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is UTUWSWDNOGYBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-25-17-11-7-14(8-12-17)19-21-22-20(26-19)27-13-18(24)23(16-9-10-16)15-5-3-2-4-6-15/h5,7-8,11-12,16H,2-4,6,9-10,13H2,1H3.

What are the key properties of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 385.49 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 18193555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).