(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide

C139H182ClFN22O20 — CID 162176249

IUPAC(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide
SMILESCC(C)(CC(=O)C1CCCCCO1)c1noc2c(F)cccc12.CC(C)(NC(=O)[C@@H]1CNCCO1)c1noc2c(Cl)cccc12.Cc1cc2ccccc2c(C(C)(C)NC(=O)C2CCCCOC2)n1.Cc1cc2ccccc2c(C(C)(C)NC(=O)C2CNCCCO2)n1.Cc1cccc2c(C(C)(C)NC(=O)C3CCCCOC3)[nH]nc12.Cc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)noc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)[nH]nc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)noc12
InChIInChI=1S/C20H26N2O2.C19H25N3O2.C18H22FNO3.C18H25N3O2.C17H23N3O3.C16H22N4O2.C16H21N3O3.C15H18ClN3O3/c1-14-12-15-8-4-5-10-17(15)18(21-14)20(2,3)22-19(23)16-9-6-7-11-24-13-16;1-13-11-14-7-4-5-8-15(14)17(21-13)19(2,3)22-18(23)16-12-20-9-6-10-24-16;1-18(2,11-14(21)15-9-4-3-5-10-22-15)17-12-7-6-8-13(19)16(12)23-20-17;1-12-7-6-9-14-15(12)20-21-16(14)18(2,3)19-17(22)13-8-4-5-10-23-11-13;1-11-5-4-6-13-14(11)23-20-15(13)17(2,3)19-16(21)12-9-18-7-8-22-10-12;1-10-5-4-6-11-13(10)19-20-14(11)16(2,3)18-15(21)12-9-17-7-8-22-12;1-10-5-4-6-11-13(10)22-19-14(11)16(2,3)18-15(20)12-9-17-7-8-21-12;1-15(2,18-14(20)11-8-17-6-7-21-11)13-9-4-3-5-10(16)12(9)22-19-13/h4-5,8,10,12,16H,6-7,9,11,13H2,1-3H3,(H,22,23);4-5,7-8,11,16,20H,6,9-10,12H2,1-3H3,(H,22,23);6-8,15H,3-5,9-11H2,1-2H3;6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,19,22)(H,20,21);4-6,12,18H,7-10H2,1-3H3,(H,19,21);4-6,12,17H,7-9H2,1-3H3,(H,18,21)(H,19,20);4-6,12,17H,7-9H2,1-3H3,(H,18,20);3-5,11,17H,6-8H2,1-2H3,(H,18,20)/t;;;;;2*12-;11-/m.....000/s1
InChIKeyZOKZTLQRPUYQBL-XJFPTUCZSA-N
MW2535.57 g/mol
LogP19.42
Rot. Bonds25

About (2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide

(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide (PubChem CID 162176249) has the molecular formula C139H182ClFN22O20 and a molecular weight of 2535.57 g/mol. Its IUPAC name is (2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide
PubChem CID162176249
Molecular FormulaC139H182ClFN22O20
Molecular Weight2535.57 g/mol
Exact Mass2533.36
IUPAC Name(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide
SMILESCC(C)(CC(=O)C1CCCCCO1)c1noc2c(F)cccc12.CC(C)(NC(=O)[C@@H]1CNCCO1)c1noc2c(Cl)cccc12.Cc1cc2ccccc2c(C(C)(C)NC(=O)C2CCCCOC2)n1.Cc1cc2ccccc2c(C(C)(C)NC(=O)C2CNCCCO2)n1.Cc1cccc2c(C(C)(C)NC(=O)C3CCCCOC3)[nH]nc12.Cc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)noc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)[nH]nc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)noc12
InChIInChI=1S/C20H26N2O2.C19H25N3O2.C18H22FNO3.C18H25N3O2.C17H23N3O3.C16H22N4O2.C16H21N3O3.C15H18ClN3O3/c1-14-12-15-8-4-5-10-17(15)18(21-14)20(2,3)22-19(23)16-9-6-7-11-24-13-16;1-13-11-14-7-4-5-8-15(14)17(21-13)19(2,3)22-18(23)16-12-20-9-6-10-24-16;1-18(2,11-14(21)15-9-4-3-5-10-22-15)17-12-7-6-8-13(19)16(12)23-20-17;1-12-7-6-9-14-15(12)20-21-16(14)18(2,3)19-17(22)13-8-4-5-10-23-11-13;1-11-5-4-6-13-14(11)23-20-15(13)17(2,3)19-16(21)12-9-18-7-8-22-10-12;1-10-5-4-6-11-13(10)19-20-14(11)16(2,3)18-15(21)12-9-17-7-8-22-12;1-10-5-4-6-11-13(10)22-19-14(11)16(2,3)18-15(20)12-9-17-7-8-21-12;1-15(2,18-14(20)11-8-17-6-7-21-11)13-9-4-3-5-10(16)12(9)22-19-13/h4-5,8,10,12,16H,6-7,9,11,13H2,1-3H3,(H,22,23);4-5,7-8,11,16,20H,6,9-10,12H2,1-3H3,(H,22,23);6-8,15H,3-5,9-11H2,1-2H3;6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,19,22)(H,20,21);4-6,12,18H,7-10H2,1-3H3,(H,19,21);4-6,12,17H,7-9H2,1-3H3,(H,18,21)(H,19,20);4-6,12,17H,7-9H2,1-3H3,(H,18,20);3-5,11,17H,6-8H2,1-2H3,(H,18,20)/t;;;;;2*12-;11-/m.....000/s1
InChIKeyZOKZTLQRPUYQBL-XJFPTUCZSA-N
XLogP19.42
TPSA542.02 Ų
H-Bond Donors14
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002535.57
LogP ≤ 519.42
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1033

Analyze (2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(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
3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(1,4-oxazepan-7-yl)butan-1-one;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
CID 158006432
(2S)-N-[2-(7-chloro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;(2S)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide
CID 158213960
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
(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
N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine-9-carboxamide;N-[2-(1,7-dimethylindazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;N-[2-(7-fluoro-1,2-benzoxazol-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[3,4-f][1,4]oxazepine-9-carboxamide;3-(7-fluoro-2H-indazol-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one
CID 162087784

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide?
The IUPAC name of (2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide (CID 162176249) is (2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide.
What is the SMILES notation for (2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide?
The canonical SMILES for (2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide is CC(C)(CC(=O)C1CCCCCO1)c1noc2c(F)cccc12.CC(C)(NC(=O)[C@@H]1CNCCO1)c1noc2c(Cl)cccc12.Cc1cc2ccccc2c(C(C)(C)NC(=O)C2CCCCOC2)n1.Cc1cc2ccccc2c(C(C)(C)NC(=O)C2CNCCCO2)n1.Cc1cccc2c(C(C)(C)NC(=O)C3CCCCOC3)[nH]nc12.Cc1cccc2c(C(C)(C)NC(=O)C3CNCCOC3)noc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)[nH]nc12.Cc1cccc2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)noc12.
What is the InChIKey of (2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide?
The InChIKey is ZOKZTLQRPUYQBL-XJFPTUCZSA-N. The full InChI is InChI=1S/C20H26N2O2.C19H25N3O2.C18H22FNO3.C18H25N3O2.C17H23N3O3.C16H22N4O2.C16H21N3O3.C15H18ClN3O3/c1-14-12-15-8-4-5-10-17(15)18(21-14)20(2,3)22-19(23)16-9-6-7-11-24-13-16;1-13-11-14-7-4-5-8-15(14)17(21-13)19(2,3)22-18(23)16-12-20-9-6-10-24-16;1-18(2,11-14(21)15-9-4-3-5-10-22-15)17-12-7-6-8-13(19)16(12)23-20-17;1-12-7-6-9-14-15(12)20-21-16(14)18(2,3)19-17(22)13-8-4-5-10-23-11-13;1-11-5-4-6-13-14(11)23-20-15(13)17(2,3)19-16(21)12-9-18-7-8-22-10-12;1-10-5-4-6-11-13(10)19-20-14(11)16(2,3)18-15(21)12-9-17-7-8-22-12;1-10-5-4-6-11-13(10)22-19-14(11)16(2,3)18-15(20)12-9-17-7-8-21-12;1-15(2,18-14(20)11-8-17-6-7-21-11)13-9-4-3-5-10(16)12(9)22-19-13/h4-5,8,10,12,16H,6-7,9,11,13H2,1-3H3,(H,22,23);4-5,7-8,11,16,20H,6,9-10,12H2,1-3H3,(H,22,23);6-8,15H,3-5,9-11H2,1-2H3;6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,19,22)(H,20,21);4-6,12,18H,7-10H2,1-3H3,(H,19,21);4-6,12,17H,7-9H2,1-3H3,(H,18,21)(H,19,20);4-6,12,17H,7-9H2,1-3H3,(H,18,20);3-5,11,17H,6-8H2,1-2H3,(H,18,20)/t;;;;;2*12-;11-/m.....000/s1.
What are the key properties of (2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide?
(2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide has a molecular weight of 2535.57 g/mol, XLogP of 19.42, 25 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(7-chloro-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;3-(7-fluoro-1,2-benzoxazol-3-yl)-3-methyl-1-(oxepan-2-yl)butan-1-one;(2S)-N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-1,2-benzoxazol-3-yl)propan-2-yl]-1,4-oxazepane-6-carboxamide;(2S)-N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;N-[2-(7-methyl-2H-indazol-3-yl)propan-2-yl]oxepane-3-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]-1,4-oxazepane-2-carboxamide;N-[2-(3-methylisoquinolin-1-yl)propan-2-yl]oxepane-3-carboxamide is sourced from PubChem (CID 162176249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).