(1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C126H171F3N18O15 — CID 161286903

IUPAC(1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(COc1ccccc1C1CC1)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1cnccc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1cnccc1C1CC1)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1ncccc1C1CC1)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1noc2ccccc12)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(C2CC2)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1ccccc1OCC(C)(C)NC(=O)C1[C@H]2CN(C)C[C@@H]12
InChIInChI=1S/C20H28N2O2.C19H26N2O2.2C18H25N3O2.C18H26N2O2.C17H21N3O3.C16H20F3N3O2/c1-12-8-14(13-4-5-13)6-7-17(12)24-11-20(2,3)22-19(23)18-15-9-21-10-16(15)18;1-19(2,21-18(22)17-14-9-20-10-15(14)17)11-23-16-6-4-3-5-13(16)12-7-8-12;1-18(2,21-17(22)16-13-7-20-8-14(13)16)10-23-15-9-19-6-5-12(15)11-3-4-11;1-18(2,21-16(22)15-13-8-19-9-14(13)15)10-23-17-12(11-5-6-11)4-3-7-20-17;1-12-7-5-6-8-15(12)22-11-18(2,3)19-17(21)16-13-9-20(4)10-14(13)16;1-17(2,19-15(21)14-11-7-18-8-12(11)14)9-22-16-10-5-3-4-6-13(10)23-20-16;1-15(2,22-14(23)13-9-5-21-6-10(9)13)8-24-12-7-20-4-3-11(12)16(17,18)19/h6-8,13,15-16,18,21H,4-5,9-11H2,1-3H3,(H,22,23);3-6,12,14-15,17,20H,7-11H2,1-2H3,(H,21,22);5-6,9,11,13-14,16,20H,3-4,7-8,10H2,1-2H3,(H,21,22);3-4,7,11,13-15,19H,5-6,8-10H2,1-2H3,(H,21,22);5-8,13-14,16H,9-11H2,1-4H3,(H,19,21);3-6,11-12,14,18H,7-9H2,1-2H3,(H,19,21);3-4,7,9-10,13,21H,5-6,8H2,1-2H3,(H,22,23)/t15-,16+,18?;14-,15+,17?;13-,14+,16?;13-,14+,15?;13-,14+,16?;11-,12+,14?;9-,10+,13?
InChIKeyVFVMIZKUTAYRTL-QAXATPEWSA-N
MW2234.86 g/mol
LogP13.79
Rot. Bonds39

About (1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 161286903) has the molecular formula C126H171F3N18O15 and a molecular weight of 2234.86 g/mol. Its IUPAC name is (1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID161286903
Molecular FormulaC126H171F3N18O15
Molecular Weight2234.86 g/mol
Exact Mass2233.31
IUPAC Name(1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(COc1ccccc1C1CC1)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1cnccc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1cnccc1C1CC1)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1ncccc1C1CC1)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1noc2ccccc12)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(C2CC2)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1ccccc1OCC(C)(C)NC(=O)C1[C@H]2CN(C)C[C@@H]12
InChIInChI=1S/C20H28N2O2.C19H26N2O2.2C18H25N3O2.C18H26N2O2.C17H21N3O3.C16H20F3N3O2/c1-12-8-14(13-4-5-13)6-7-17(12)24-11-20(2,3)22-19(23)18-15-9-21-10-16(15)18;1-19(2,21-18(22)17-14-9-20-10-15(14)17)11-23-16-6-4-3-5-13(16)12-7-8-12;1-18(2,21-17(22)16-13-7-20-8-14(13)16)10-23-15-9-19-6-5-12(15)11-3-4-11;1-18(2,21-16(22)15-13-8-19-9-14(13)15)10-23-17-12(11-5-6-11)4-3-7-20-17;1-12-7-5-6-8-15(12)22-11-18(2,3)19-17(21)16-13-9-20(4)10-14(13)16;1-17(2,19-15(21)14-11-7-18-8-12(11)14)9-22-16-10-5-3-4-6-13(10)23-20-16;1-15(2,22-14(23)13-9-5-21-6-10(9)13)8-24-12-7-20-4-3-11(12)16(17,18)19/h6-8,13,15-16,18,21H,4-5,9-11H2,1-3H3,(H,22,23);3-6,12,14-15,17,20H,7-11H2,1-2H3,(H,21,22);5-6,9,11,13-14,16,20H,3-4,7-8,10H2,1-2H3,(H,21,22);3-4,7,11,13-15,19H,5-6,8-10H2,1-2H3,(H,21,22);5-8,13-14,16H,9-11H2,1-4H3,(H,19,21);3-6,11-12,14,18H,7-9H2,1-2H3,(H,19,21);3-4,7,9-10,13,21H,5-6,8H2,1-2H3,(H,22,23)/t15-,16+,18?;14-,15+,17?;13-,14+,16?;13-,14+,15?;13-,14+,16?;11-,12+,14?;9-,10+,13?
InChIKeyVFVMIZKUTAYRTL-QAXATPEWSA-N
XLogP13.79
TPSA408.43 Ų
H-Bond Donors13
H-Bond Acceptors26
Rotatable Bonds39
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002234.86
LogP ≤ 513.79
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1026

Analyze (1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;(2R)-2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]cyclopentan-1-one;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one
CID 157155164
3-(2-methoxyethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[[(2R)-5-methylidenepyrrolidin-2-yl]methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrrol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one
CID 158129377
3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-pyridin-2-yloxy-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-pyrimidin-2-yloxy-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-pyrrolidin-1-yl-2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethanone;N-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrimidin-2-amine
CID 158939285
3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;4-methyl-1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]pentan-2-one;3-pyridin-2-yloxy-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrimidin-2-yloxy-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-pyrrolidin-1-yl-2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethanone;N-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrimidin-2-amine
CID 159151607
(1R,5S)-N-[2-(1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(1-chloroisoquinolin-4-yl)oxy-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(1-isoquinolin-1-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-methyl-1-quinolin-4-yloxypropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 160299343
1-[2-[[7-Fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 160557840
3-[(1-ethyl-4H-imidazol-1-ium-5-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-ethylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylidenepyrrolidin-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-methylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-propan-2-ylpyrrol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 161085169
(1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(1-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(1-isoquinolin-1-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(1-isoquinolin-4-yloxy-2-methylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 161353796
3-(4-methylpiperazin-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-pyridin-2-yloxy-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-pyrimidin-2-yloxy-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrimidin-2-amine
CID 161596294
3-[2-(2-methylpyrrol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-methyl-4-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxymethyl]pyrrolidin-2-one;3-[(1-prop-2-ynylcyclopropyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrrol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 161836995
bis(1-[6-(cyclopropylmethoxy)-3-[2-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 157507582
bis(3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one);1-[6-(cyclopropylmethoxy)-3-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 158387751

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 161286903) is (1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(COc1ccccc1C1CC1)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1cnccc1C(F)(F)F)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1cnccc1C1CC1)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1ncccc1C1CC1)NC(=O)C1[C@H]2CNC[C@@H]12.CC(C)(COc1noc2ccccc12)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1cc(C2CC2)ccc1OCC(C)(C)NC(=O)C1[C@H]2CNC[C@@H]12.Cc1ccccc1OCC(C)(C)NC(=O)C1[C@H]2CN(C)C[C@@H]12.
What is the InChIKey of (1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is VFVMIZKUTAYRTL-QAXATPEWSA-N. The full InChI is InChI=1S/C20H28N2O2.C19H26N2O2.2C18H25N3O2.C18H26N2O2.C17H21N3O3.C16H20F3N3O2/c1-12-8-14(13-4-5-13)6-7-17(12)24-11-20(2,3)22-19(23)18-15-9-21-10-16(15)18;1-19(2,21-18(22)17-14-9-20-10-15(14)17)11-23-16-6-4-3-5-13(16)12-7-8-12;1-18(2,21-17(22)16-13-7-20-8-14(13)16)10-23-15-9-19-6-5-12(15)11-3-4-11;1-18(2,21-16(22)15-13-8-19-9-14(13)15)10-23-17-12(11-5-6-11)4-3-7-20-17;1-12-7-5-6-8-15(12)22-11-18(2,3)19-17(21)16-13-9-20(4)10-14(13)16;1-17(2,19-15(21)14-11-7-18-8-12(11)14)9-22-16-10-5-3-4-6-13(10)23-20-16;1-15(2,22-14(23)13-9-5-21-6-10(9)13)8-24-12-7-20-4-3-11(12)16(17,18)19/h6-8,13,15-16,18,21H,4-5,9-11H2,1-3H3,(H,22,23);3-6,12,14-15,17,20H,7-11H2,1-2H3,(H,21,22);5-6,9,11,13-14,16,20H,3-4,7-8,10H2,1-2H3,(H,21,22);3-4,7,11,13-15,19H,5-6,8-10H2,1-2H3,(H,21,22);5-8,13-14,16H,9-11H2,1-4H3,(H,19,21);3-6,11-12,14,18H,7-9H2,1-2H3,(H,19,21);3-4,7,9-10,13,21H,5-6,8H2,1-2H3,(H,22,23)/t15-,16+,18?;14-,15+,17?;13-,14+,16?;13-,14+,15?;13-,14+,16?;11-,12+,14?;9-,10+,13?.
What are the key properties of (1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 2234.86 g/mol, XLogP of 13.79, 39 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[1-(1,2-benzoxazol-3-yloxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[1-(4-cyclopropyl-2-methylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(2-cyclopropylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(3-cyclopropyl-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-[(4-cyclopropyl-3-pyridinyl)oxy]-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-3-methyl-N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-1-[[4-(trifluoromethyl)-3-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 161286903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).