N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-(4-hydroxycyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide

C66H89N13O8S — CID 159649685

About N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-(4-hydroxycyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide

N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-(4-hydroxycyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide (PubChem CID 159649685) has the molecular formula C66H89N13O8S and a molecular weight of 1224.59 g/mol. Its IUPAC name is N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-(4-hydroxycyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide.

Molecular Properties

• Compound Name: N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-(4-hydroxycyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide
• PubChem CID: 159649685
• Molecular Formula: C66H89N13O8S
• Molecular Weight: 1224.59 g/mol
• Exact Mass: 1223.67
• IUPAC Name: N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-(4-hydroxycyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide
• SMILES: Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(C5CCCCC5)CC4)C3)c2c1.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(O)(c5nccs5)CC4)C3)c2c1.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(O)CC4)C3)c2c1
• InChI: InChI=1S/C25H36N4O2.C22H27N5O3S.C19H26N4O3/c1-17-7-12-23-22(13-17)25(28-31-23)26-14-24(30)27-20-15-29(16-20)21-10-8-19(9-11-21)18-5-3-2-4-6-18;1-14-2-3-18-17(10-14)20(26-30-18)24-11-19(28)25-15-12-27(13-15)16-4-6-22(29,7-5-16)21-23-8-9-31-21;1-12-2-7-17-16(8-12)19(22-26-17)20-9-18(25)21-13-10-23(11-13)14-3-5-15(24)6-4-14/h7,12-13,18-21H,2-6,8-11,14-16H2,1H3,(H,26,28)(H,27,30);2-3,8-10,15-16,29H,4-7,11-13H2,1H3,(H,24,26)(H,25,28);2,7-8,13-15,24H,3-6,9-11H2,1H3,(H,20,22)(H,21,25)
• InChIKey: MRJYKPQBOCHBKN-UHFFFAOYSA-N
• XLogP: 8.78
• TPSA: 264.55 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1224.59
LogP ≤ 5	8.78
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-(4-hydroxycyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide?

The IUPAC name of N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-(4-hydroxycyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide (CID 159649685) is N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-(4-hydroxycyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide.

What is the SMILES notation for N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-(4-hydroxycyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide?

The canonical SMILES for N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-(4-hydroxycyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide is Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(C5CCCCC5)CC4)C3)c2c1.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(O)(c5nccs5)CC4)C3)c2c1.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(O)CC4)C3)c2c1.

What is the InChIKey of N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-(4-hydroxycyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide?

The InChIKey is MRJYKPQBOCHBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2.C22H27N5O3S.C19H26N4O3/c1-17-7-12-23-22(13-17)25(28-31-23)26-14-24(30)27-20-15-29(16-20)21-10-8-19(9-11-21)18-5-3-2-4-6-18;1-14-2-3-18-17(10-14)20(26-30-18)24-11-19(28)25-15-12-27(13-15)16-4-6-22(29,7-5-16)21-23-8-9-31-21;1-12-2-7-17-16(8-12)19(22-26-17)20-9-18(25)21-13-10-23(11-13)14-3-5-15(24)6-4-14/h7,12-13,18-21H,2-6,8-11,14-16H2,1H3,(H,26,28)(H,27,30);2-3,8-10,15-16,29H,4-7,11-13H2,1H3,(H,24,26)(H,25,28);2,7-8,13-15,24H,3-6,9-11H2,1H3,(H,20,22)(H,21,25).

What are the key properties of N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-(4-hydroxycyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide?

N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-(4-hydroxycyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide has a molecular weight of 1224.59 g/mol, XLogP of 8.78, 17 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-(4-hydroxycyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide is sourced from PubChem (CID 159649685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).