2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide

C20H27N5O3S — CID 86935159

About 2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide

2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 86935159) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is 2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 86935159
• Molecular Formula: C20H27N5O3S
• Molecular Weight: 417.54 g/mol
• Exact Mass: 417.18
• IUPAC Name: 2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: Cc1nc(C2(NC(=O)CC3(CC(=O)Nc4nccs4)CCCCC3)CCC2)no1
• InChI: InChI=1S/C20H27N5O3S/c1-14-22-17(25-28-14)20(8-5-9-20)24-16(27)13-19(6-3-2-4-7-19)12-15(26)23-18-21-10-11-29-18/h10-11H,2-9,12-13H2,1H3,(H,24,27)(H,21,23,26)
• InChIKey: OXUQPNSPUNECBV-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 110.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.54
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide (CID 86935159) is 2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide is Cc1nc(C2(NC(=O)CC3(CC(=O)Nc4nccs4)CCCCC3)CCC2)no1.

What is the InChIKey of 2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is OXUQPNSPUNECBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-14-22-17(25-28-14)20(8-5-9-20)24-16(27)13-19(6-3-2-4-7-19)12-15(26)23-18-21-10-11-29-18/h10-11H,2-9,12-13H2,1H3,(H,24,27)(H,21,23,26).

What are the key properties of 2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide?

2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 417.54 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]amino]-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 86935159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).