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

C66H86N14O8S2 — CID 157080261

IUPACN-[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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide
SMILESCc1ccc2onc(NCC(=O)NC3CN(C4CCC(C(C)C)CC4)C3)c2c1.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(O)(c5cncs5)CC4)C3)c2c1.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(O)(c5nccs5)CC4)C3)c2c1
InChIInChI=1S/2C22H27N5O3S.C22H32N4O2/c1-14-2-3-18-17(8-14)21(26-30-18)24-10-20(28)25-15-11-27(12-15)16-4-6-22(29,7-5-16)19-9-23-13-31-19;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;1-14(2)16-5-7-18(8-6-16)26-12-17(13-26)24-21(27)11-23-22-19-10-15(3)4-9-20(19)28-25-22/h2-3,8-9,13,15-16,29H,4-7,10-12H2,1H3,(H,24,26)(H,25,28);2-3,8-10,15-16,29H,4-7,11-13H2,1H3,(H,24,26)(H,25,28);4,9-10,14,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyADLPJLOPLFYVBP-UHFFFAOYSA-N
MW1267.64 g/mol
LogP8.83
Rot. Bonds18

About 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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide (PubChem CID 157080261) has the molecular formula C66H86N14O8S2 and a molecular weight of 1267.64 g/mol. Its IUPAC name is 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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide
PubChem CID157080261
Molecular FormulaC66H86N14O8S2
Molecular Weight1267.64 g/mol
Exact Mass1266.62
IUPAC NameN-[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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide
SMILESCc1ccc2onc(NCC(=O)NC3CN(C4CCC(C(C)C)CC4)C3)c2c1.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(O)(c5cncs5)CC4)C3)c2c1.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(O)(c5nccs5)CC4)C3)c2c1
InChIInChI=1S/2C22H27N5O3S.C22H32N4O2/c1-14-2-3-18-17(8-14)21(26-30-18)24-10-20(28)25-15-11-27(12-15)16-4-6-22(29,7-5-16)19-9-23-13-31-19;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;1-14(2)16-5-7-18(8-6-16)26-12-17(13-26)24-21(27)11-23-22-19-10-15(3)4-9-20(19)28-25-22/h2-3,8-9,13,15-16,29H,4-7,10-12H2,1H3,(H,24,26)(H,25,28);2-3,8-10,15-16,29H,4-7,11-13H2,1H3,(H,24,26)(H,25,28);4,9-10,14,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyADLPJLOPLFYVBP-UHFFFAOYSA-N
XLogP8.83
TPSA277.44 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001267.64
LogP ≤ 58.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide?
The IUPAC name of 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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide (CID 157080261) is 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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide.
What is the SMILES notation for 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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide?
The canonical SMILES for 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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide is Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(C(C)C)CC4)C3)c2c1.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(O)(c5cncs5)CC4)C3)c2c1.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(O)(c5nccs5)CC4)C3)c2c1.
What is the InChIKey of 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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide?
The InChIKey is ADLPJLOPLFYVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H27N5O3S.C22H32N4O2/c1-14-2-3-18-17(8-14)21(26-30-18)24-10-20(28)25-15-11-27(12-15)16-4-6-22(29,7-5-16)19-9-23-13-31-19;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;1-14(2)16-5-7-18(8-6-16)26-12-17(13-26)24-21(27)11-23-22-19-10-15(3)4-9-20(19)28-25-22/h2-3,8-9,13,15-16,29H,4-7,10-12H2,1H3,(H,24,26)(H,25,28);2-3,8-10,15-16,29H,4-7,11-13H2,1H3,(H,24,26)(H,25,28);4,9-10,14,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,27).
What are the key properties of 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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide has a molecular weight of 1267.64 g/mol, XLogP of 8.83, 18 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide is sourced from PubChem (CID 157080261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).