6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one

C129H169F10N17O13 — CID 167536304

IUPAC6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one
SMILESCCn1c(C(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C(C)(F)F)on4)C3)CC2)cccc1=O.Cc1cc(CC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C(C)(F)F)on4)C3)CC2)on1.Cc1ccccc1C(=O)CC1CCC(CCN2C[C@@H]3C[C@]3(c3cc(C(C)(F)F)on3)C2)CC1.Cc1ncc(OCC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C(C)(F)F)on4)C3)CC2)cn1.Cn1ncc(CC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C(C)(F)F)on4)C3)CC2)n1
InChIInChI=1S/C27H35F2N3O3.C27H34F2N2O2.C26H34F2N4O3.C25H33F2N3O3.C24H33F2N5O2/c1-3-32-21(5-4-6-25(32)34)22(33)13-19-9-7-18(8-10-19)11-12-31-16-20-15-27(20,17-31)23-14-24(35-30-23)26(2,28)29;1-18-5-3-4-6-22(18)23(32)13-20-9-7-19(8-10-20)11-12-31-16-21-15-27(21,17-31)24-14-25(33-30-24)26(2,28)29;1-17-29-12-22(13-30-17)34-15-21(33)9-19-5-3-18(4-6-19)7-8-32-14-20-11-26(20,16-32)23-10-24(35-31-23)25(2,27)28;1-16-9-21(32-28-16)11-20(31)10-18-5-3-17(4-6-18)7-8-30-14-19-13-25(19,15-30)22-12-23(33-29-22)24(2,26)27;1-23(25,26)22-11-21(29-33-22)24-12-18(24)14-31(15-24)8-7-16-3-5-17(6-4-16)9-20(32)10-19-13-27-30(2)28-19/h4-6,14,18-20H,3,7-13,15-17H2,1-2H3;3-6,14,19-21H,7-13,15-17H2,1-2H3;10,12-13,18-20H,3-9,11,14-16H2,1-2H3;9,12,17-19H,3-8,10-11,13-15H2,1-2H3;11,13,16-18H,3-10,12,14-15H2,1-2H3/t18?,19?,20-,27-;19?,20?,21-,27-;18?,19?,20-,26-;17?,18?,19-,25-;16?,17?,18-,24-/m00000/s1
InChIKeyAPLJSSBWQGQPKT-PBKODXJWSA-N
MW2355.86 g/mol
LogP24.78
Rot. Bonds45

About 6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one

6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one (PubChem CID 167536304) has the molecular formula C129H169F10N17O13 and a molecular weight of 2355.86 g/mol. Its IUPAC name is 6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one.

Molecular Properties

Compound Name6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one
PubChem CID167536304
Molecular FormulaC129H169F10N17O13
Molecular Weight2355.86 g/mol
Exact Mass2354.29
IUPAC Name6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one
SMILESCCn1c(C(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C(C)(F)F)on4)C3)CC2)cccc1=O.Cc1cc(CC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C(C)(F)F)on4)C3)CC2)on1.Cc1ccccc1C(=O)CC1CCC(CCN2C[C@@H]3C[C@]3(c3cc(C(C)(F)F)on3)C2)CC1.Cc1ncc(OCC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C(C)(F)F)on4)C3)CC2)cn1.Cn1ncc(CC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C(C)(F)F)on4)C3)CC2)n1
InChIInChI=1S/C27H35F2N3O3.C27H34F2N2O2.C26H34F2N4O3.C25H33F2N3O3.C24H33F2N5O2/c1-3-32-21(5-4-6-25(32)34)22(33)13-19-9-7-18(8-10-19)11-12-31-16-20-15-27(20,17-31)23-14-24(35-30-23)26(2,28)29;1-18-5-3-4-6-22(18)23(32)13-20-9-7-19(8-10-20)11-12-31-16-21-15-27(21,17-31)24-14-25(33-30-24)26(2,28)29;1-17-29-12-22(13-30-17)34-15-21(33)9-19-5-3-18(4-6-19)7-8-32-14-20-11-26(20,16-32)23-10-24(35-31-23)25(2,27)28;1-16-9-21(32-28-16)11-20(31)10-18-5-3-17(4-6-18)7-8-30-14-19-13-25(19,15-30)22-12-23(33-29-22)24(2,26)27;1-23(25,26)22-11-21(29-33-22)24-12-18(24)14-31(15-24)8-7-16-3-5-17(6-4-16)9-20(32)10-19-13-27-30(2)28-19/h4-6,14,18-20H,3,7-13,15-17H2,1-2H3;3-6,14,19-21H,7-13,15-17H2,1-2H3;10,12-13,18-20H,3-9,11,14-16H2,1-2H3;9,12,17-19H,3-8,10-11,13-15H2,1-2H3;11,13,16-18H,3-10,12,14-15H2,1-2H3/t18?,19?,20-,27-;19?,20?,21-,27-;18?,19?,20-,26-;17?,18?,19-,25-;16?,17?,18-,24-/m00000/s1
InChIKeyAPLJSSBWQGQPKT-PBKODXJWSA-N
XLogP24.78
TPSA345.45 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds45
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002355.86
LogP ≤ 524.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-methoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
CID 160137696
Tert-butylbenzene;tert-butylcyclobutane;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-5-methylpyrimidine;4-tert-butyl-1-methyltriazole;2-tert-butyl-1,3-oxazole;3-tert-butyloxolane;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;2-tert-butyl-5-(trifluoromethyl)furan;bis(propan-2-ylcyclopropane);2-propan-2-yloxane;2-propan-2-yloxetane
CID 160685128
2,2-Dimethylpropylbenzene;2,2-dimethylpropylcyclobutane;bis(2,2-dimethylpropylcyclopropane);5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)oxetane;3-(2,2-dimethylpropyl)oxolane;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-5-(trifluoromethyl)furan
CID 161024068
2-[4-[2-[1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylisoindol-4-yl)ethanone;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrazol-3-yl)propan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-(5-cyclopropyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(1-methylpyrrol-3-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]-4-fluorocyclohexyl]-1-(2-methylindazol-4-yl)ethanone
CID 167685484

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one?
The IUPAC name of 6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one (CID 167536304) is 6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one.
What is the SMILES notation for 6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one?
The canonical SMILES for 6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one is CCn1c(C(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C(C)(F)F)on4)C3)CC2)cccc1=O.Cc1cc(CC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C(C)(F)F)on4)C3)CC2)on1.Cc1ccccc1C(=O)CC1CCC(CCN2C[C@@H]3C[C@]3(c3cc(C(C)(F)F)on3)C2)CC1.Cc1ncc(OCC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C(C)(F)F)on4)C3)CC2)cn1.Cn1ncc(CC(=O)CC2CCC(CCN3C[C@@H]4C[C@]4(c4cc(C(C)(F)F)on4)C3)CC2)n1.
What is the InChIKey of 6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one?
The InChIKey is APLJSSBWQGQPKT-PBKODXJWSA-N. The full InChI is InChI=1S/C27H35F2N3O3.C27H34F2N2O2.C26H34F2N4O3.C25H33F2N3O3.C24H33F2N5O2/c1-3-32-21(5-4-6-25(32)34)22(33)13-19-9-7-18(8-10-19)11-12-31-16-20-15-27(20,17-31)23-14-24(35-30-23)26(2,28)29;1-18-5-3-4-6-22(18)23(32)13-20-9-7-19(8-10-20)11-12-31-16-21-15-27(21,17-31)24-14-25(33-30-24)26(2,28)29;1-17-29-12-22(13-30-17)34-15-21(33)9-19-5-3-18(4-6-19)7-8-32-14-20-11-26(20,16-32)23-10-24(35-31-23)25(2,27)28;1-16-9-21(32-28-16)11-20(31)10-18-5-3-17(4-6-18)7-8-30-14-19-13-25(19,15-30)22-12-23(33-29-22)24(2,26)27;1-23(25,26)22-11-21(29-33-22)24-12-18(24)14-31(15-24)8-7-16-3-5-17(6-4-16)9-20(32)10-19-13-27-30(2)28-19/h4-6,14,18-20H,3,7-13,15-17H2,1-2H3;3-6,14,19-21H,7-13,15-17H2,1-2H3;10,12-13,18-20H,3-9,11,14-16H2,1-2H3;9,12,17-19H,3-8,10-11,13-15H2,1-2H3;11,13,16-18H,3-10,12,14-15H2,1-2H3/t18?,19?,20-,27-;19?,20?,21-,27-;18?,19?,20-,26-;17?,18?,19-,25-;16?,17?,18-,24-/m00000/s1.
What are the key properties of 6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one?
6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one has a molecular weight of 2355.86 g/mol, XLogP of 24.78, 45 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]acetyl]-1-ethylpyridin-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(3-methyl-1,2-oxazol-5-yl)propan-2-one;2-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-1-(2-methylphenyl)ethanone;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methylpyrimidin-5-yl)oxypropan-2-one;1-[4-[2-[(1R,5R)-1-[5-(1,1-difluoroethyl)-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]cyclohexyl]-3-(2-methyltriazol-4-yl)propan-2-one is sourced from PubChem (CID 167536304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).