N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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

C87H119N17O11S — CID 158191054

IUPACN-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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
SMILESCCC1CCC(N2CC(NC(=O)CNc3noc4ccc(C)cc34)C2)CC1.CCOC(=O)C1CCC(N2CC(NC(=O)CNc3noc4ccc(C)cc34)C2)CC1.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(C(C)C)CC4)C3)c2c1.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(O)(c5cncs5)CC4)C3)c2c1
InChIInChI=1S/C22H27N5O3S.C22H30N4O4.C22H32N4O2.C21H30N4O2/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;1-3-29-22(28)15-5-7-17(8-6-15)26-12-16(13-26)24-20(27)11-23-21-18-10-14(2)4-9-19(18)30-25-21;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;1-3-15-5-7-17(8-6-15)25-12-16(13-25)23-20(26)11-22-21-18-10-14(2)4-9-19(18)27-24-21/h2-3,8-9,13,15-16,29H,4-7,10-12H2,1H3,(H,24,26)(H,25,28);4,9-10,15-17H,3,5-8,11-13H2,1-2H3,(H,23,25)(H,24,27);4,9-10,14,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,27);4,9-10,15-17H,3,5-8,11-13H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyFZTHRFYBRXIKKN-UHFFFAOYSA-N
MW1611.08 g/mol
LogP11.99
Rot. Bonds25

About N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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 158191054) has the molecular formula C87H119N17O11S and a molecular weight of 1611.08 g/mol. Its IUPAC name is N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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 CID158191054
Molecular FormulaC87H119N17O11S
Molecular Weight1611.08 g/mol
Exact Mass1609.90
IUPAC NameN-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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
SMILESCCC1CCC(N2CC(NC(=O)CNc3noc4ccc(C)cc34)C2)CC1.CCOC(=O)C1CCC(N2CC(NC(=O)CNc3noc4ccc(C)cc34)C2)CC1.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(C(C)C)CC4)C3)c2c1.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(O)(c5cncs5)CC4)C3)c2c1
InChIInChI=1S/C22H27N5O3S.C22H30N4O4.C22H32N4O2.C21H30N4O2/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;1-3-29-22(28)15-5-7-17(8-6-15)26-12-16(13-26)24-20(27)11-23-21-18-10-14(2)4-9-19(18)30-25-21;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;1-3-15-5-7-17(8-6-15)25-12-16(13-25)23-20(26)11-22-21-18-10-14(2)4-9-19(18)27-24-21/h2-3,8-9,13,15-16,29H,4-7,10-12H2,1H3,(H,24,26)(H,25,28);4,9-10,15-17H,3,5-8,11-13H2,1-2H3,(H,23,25)(H,24,27);4,9-10,14,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,27);4,9-10,15-17H,3,5-8,11-13H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyFZTHRFYBRXIKKN-UHFFFAOYSA-N
XLogP11.99
TPSA341.02 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001611.08
LogP ≤ 511.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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 158191054) is N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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 CCC1CCC(N2CC(NC(=O)CNc3noc4ccc(C)cc34)C2)CC1.CCOC(=O)C1CCC(N2CC(NC(=O)CNc3noc4ccc(C)cc34)C2)CC1.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(C(C)C)CC4)C3)c2c1.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(O)(c5cncs5)CC4)C3)c2c1.
What is the InChIKey of N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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 FZTHRFYBRXIKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S.C22H30N4O4.C22H32N4O2.C21H30N4O2/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;1-3-29-22(28)15-5-7-17(8-6-15)26-12-16(13-26)24-20(27)11-23-21-18-10-14(2)4-9-19(18)30-25-21;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;1-3-15-5-7-17(8-6-15)25-12-16(13-25)23-20(26)11-22-21-18-10-14(2)4-9-19(18)27-24-21/h2-3,8-9,13,15-16,29H,4-7,10-12H2,1H3,(H,24,26)(H,25,28);4,9-10,15-17H,3,5-8,11-13H2,1-2H3,(H,23,25)(H,24,27);4,9-10,14,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,27);4,9-10,15-17H,3,5-8,11-13H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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 1611.08 g/mol, XLogP of 11.99, 25 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetamide;ethyl 4-[3-[[2-[(5-methyl-1,2-benzoxazol-3-yl)amino]acetyl]amino]azetidin-1-yl]cyclohexane-1-carboxylate;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 158191054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).