(1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C88H106ClF4N17O8 — CID 159604523

IUPAC(1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(CC2CC2)c2ccccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(C(F)(F)F)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(Cl)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(F)cccc12.CC(C)n1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc21
InChIInChI=1S/C20H26N4O.C19H26N4O.C17H18F3N3O2.C16H18ClN3O2.C16H18FN3O2/c1-20(2,22-19(25)17-14-9-21-10-15(14)17)18-13-5-3-4-6-16(13)24(23-18)11-12-7-8-12;1-11(2)23-15-8-6-5-7-12(15)17(22-23)19(3,4)21-18(24)16-13-9-20-10-14(13)16;1-16(2,22-15(24)12-9-6-21-7-10(9)12)14-8-4-3-5-11(17(18,19)20)13(8)25-23-14;2*1-16(2,19-15(21)12-9-6-18-7-10(9)12)14-8-4-3-5-11(17)13(8)22-20-14/h3-6,12,14-15,17,21H,7-11H2,1-2H3,(H,22,25);5-8,11,13-14,16,20H,9-10H2,1-4H3,(H,21,24);3-5,9-10,12,21H,6-7H2,1-2H3,(H,22,24);2*3-5,9-10,12,18H,6-7H2,1-2H3,(H,19,21)/t14-,15+,17?;13-,14+,16?;3*9-,10+,12?
InChIKeyMLXHBELTQAWZOD-FHWJVCKSSA-N
MW1641.37 g/mol
LogP11.44
Rot. Bonds18

About (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 159604523) has the molecular formula C88H106ClF4N17O8 and a molecular weight of 1641.37 g/mol. Its IUPAC name is (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID159604523
Molecular FormulaC88H106ClF4N17O8
Molecular Weight1641.37 g/mol
Exact Mass1639.80
IUPAC Name(1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(CC2CC2)c2ccccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(C(F)(F)F)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(Cl)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(F)cccc12.CC(C)n1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc21
InChIInChI=1S/C20H26N4O.C19H26N4O.C17H18F3N3O2.C16H18ClN3O2.C16H18FN3O2/c1-20(2,22-19(25)17-14-9-21-10-15(14)17)18-13-5-3-4-6-16(13)24(23-18)11-12-7-8-12;1-11(2)23-15-8-6-5-7-12(15)17(22-23)19(3,4)21-18(24)16-13-9-20-10-14(13)16;1-16(2,22-15(24)12-9-6-21-7-10(9)12)14-8-4-3-5-11(17(18,19)20)13(8)25-23-14;2*1-16(2,19-15(21)12-9-6-18-7-10(9)12)14-8-4-3-5-11(17)13(8)22-20-14/h3-6,12,14-15,17,21H,7-11H2,1-2H3,(H,22,25);5-8,11,13-14,16,20H,9-10H2,1-4H3,(H,21,24);3-5,9-10,12,21H,6-7H2,1-2H3,(H,22,24);2*3-5,9-10,12,18H,6-7H2,1-2H3,(H,19,21)/t14-,15+,17?;13-,14+,16?;3*9-,10+,12?
InChIKeyMLXHBELTQAWZOD-FHWJVCKSSA-N
XLogP11.44
TPSA319.38 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001641.37
LogP ≤ 511.44
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

(1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158619014
(1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(2,2,2-trifluoroethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 160500247
(1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(2,2,2-trifluoroethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 161732519
(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide
CID 157684094
(1S,5R)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[1-(oxan-4-yl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 157935644
(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-methylpyrazolo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(oxan-4-yl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 159816735
N-[(7-chloro-1,2-benzoxazol-3-yl)methyl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide
CID 161030461
(1S,5R)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-cyclopropyl-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[1-(1-methylindazol-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(oxan-4-yl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 161428400
(2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;bis((2S)-N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide);(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;bis((2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide)
CID 161730864

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 159604523) is (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1nn(CC2CC2)c2ccccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(C(F)(F)F)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(Cl)cccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1noc2c(F)cccc12.CC(C)n1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc21.
What is the InChIKey of (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is MLXHBELTQAWZOD-FHWJVCKSSA-N. The full InChI is InChI=1S/C20H26N4O.C19H26N4O.C17H18F3N3O2.C16H18ClN3O2.C16H18FN3O2/c1-20(2,22-19(25)17-14-9-21-10-15(14)17)18-13-5-3-4-6-16(13)24(23-18)11-12-7-8-12;1-11(2)23-15-8-6-5-7-12(15)17(22-23)19(3,4)21-18(24)16-13-9-20-10-14(13)16;1-16(2,22-15(24)12-9-6-21-7-10(9)12)14-8-4-3-5-11(17(18,19)20)13(8)25-23-14;2*1-16(2,19-15(21)12-9-6-18-7-10(9)12)14-8-4-3-5-11(17)13(8)22-20-14/h3-6,12,14-15,17,21H,7-11H2,1-2H3,(H,22,25);5-8,11,13-14,16,20H,9-10H2,1-4H3,(H,21,24);3-5,9-10,12,21H,6-7H2,1-2H3,(H,22,24);2*3-5,9-10,12,18H,6-7H2,1-2H3,(H,19,21)/t14-,15+,17?;13-,14+,16?;3*9-,10+,12?.
What are the key properties of (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 1641.37 g/mol, XLogP of 11.44, 18 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(cyclopropylmethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-propan-2-ylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[7-(trifluoromethyl)-1,2-benzoxazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 159604523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).