2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine

C111H117Cl5F6N24O5 — CID 158918185

IUPAC2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine
SMILESCCC(c1nc2c(NCCC3CCCCN3CC)nccc2o1)c1cc(Cl)ccc1-n1cncn1.Cc1cc2oc(Cc3cccc(Cl)c3)nc2c(NCCC2CCCCN2)n1.FC(F)(CNc1cccc2oc(Cc3cc(Cl)ccc3Cl)nc12)c1ccccn1.FC(F)(CNc1cccc2oc(Cc3ccccc3-n3cncn3)nc12)C1CCCCN1.FC(F)(CNc1nccc2oc(Cc3cccc(Cl)c3)nc12)C1CCCCN1
InChIInChI=1S/C26H32ClN7O.C23H24F2N6O.C21H15Cl2F2N3O.C21H25ClN4O.C20H21ClF2N4O/c1-3-20(21-15-18(27)8-9-22(21)34-17-28-16-31-34)26-32-24-23(35-26)11-13-30-25(24)29-12-10-19-7-5-6-14-33(19)4-2;24-23(25,20-10-3-4-11-27-20)13-28-17-7-5-9-19-22(17)30-21(32-19)12-16-6-1-2-8-18(16)31-15-26-14-29-31;22-14-7-8-15(23)13(10-14)11-19-28-20-16(4-3-5-17(20)29-19)27-12-21(24,25)18-6-1-2-9-26-18;1-14-11-18-20(21(25-14)24-10-8-17-7-2-3-9-23-17)26-19(27-18)13-15-5-4-6-16(22)12-15;21-14-5-3-4-13(10-14)11-17-27-18-15(28-17)7-9-25-19(18)26-12-20(22,23)16-6-1-2-8-24-16/h8-9,11,13,15-17,19-20H,3-7,10,12,14H2,1-2H3,(H,29,30);1-2,5-9,14-15,20,27-28H,3-4,10-13H2;1-10,27H,11-12H2;4-6,11-12,17,23H,2-3,7-10,13H2,1H3,(H,24,25);3-5,7,9-10,16,24H,1-2,6,8,11-12H2,(H,25,26)
InChIKeyJHMPFXCTAIUDDA-UHFFFAOYSA-N
MW2158.57 g/mol
LogP25.56
Rot. Bonds34

About 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine

2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine (PubChem CID 158918185) has the molecular formula C111H117Cl5F6N24O5 and a molecular weight of 2158.57 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine
PubChem CID158918185
Molecular FormulaC111H117Cl5F6N24O5
Molecular Weight2158.57 g/mol
Exact Mass2154.80
IUPAC Name2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine
SMILESCCC(c1nc2c(NCCC3CCCCN3CC)nccc2o1)c1cc(Cl)ccc1-n1cncn1.Cc1cc2oc(Cc3cccc(Cl)c3)nc2c(NCCC2CCCCN2)n1.FC(F)(CNc1cccc2oc(Cc3cc(Cl)ccc3Cl)nc12)c1ccccn1.FC(F)(CNc1cccc2oc(Cc3ccccc3-n3cncn3)nc12)C1CCCCN1.FC(F)(CNc1nccc2oc(Cc3cccc(Cl)c3)nc12)C1CCCCN1
InChIInChI=1S/C26H32ClN7O.C23H24F2N6O.C21H15Cl2F2N3O.C21H25ClN4O.C20H21ClF2N4O/c1-3-20(21-15-18(27)8-9-22(21)34-17-28-16-31-34)26-32-24-23(35-26)11-13-30-25(24)29-12-10-19-7-5-6-14-33(19)4-2;24-23(25,20-10-3-4-11-27-20)13-28-17-7-5-9-19-22(17)30-21(32-19)12-16-6-1-2-8-18(16)31-15-26-14-29-31;22-14-7-8-15(23)13(10-14)11-19-28-20-16(4-3-5-17(20)29-19)27-12-21(24,25)18-6-1-2-9-26-18;1-14-11-18-20(21(25-14)24-10-8-17-7-2-3-9-23-17)26-19(27-18)13-15-5-4-6-16(22)12-15;21-14-5-3-4-13(10-14)11-17-27-18-15(28-17)7-9-25-19(18)26-12-20(22,23)16-6-1-2-8-24-16/h8-9,11,13,15-17,19-20H,3-7,10,12,14H2,1-2H3,(H,29,30);1-2,5-9,14-15,20,27-28H,3-4,10-13H2;1-10,27H,11-12H2;4-6,11-12,17,23H,2-3,7-10,13H2,1H3,(H,24,25);3-5,7,9-10,16,24H,1-2,6,8,11-12H2,(H,25,26)
InChIKeyJHMPFXCTAIUDDA-UHFFFAOYSA-N
XLogP25.56
TPSA342.61 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds34
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002158.57
LogP ≤ 525.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine with MolForge

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Related Compounds

[2-(5-Chloro-2-[1,2,4]triazol-1-yl-benzyl)-benzooxazol-4-yl]-(2,2-difluoro-2-pyridin-2-yl-ethyl)-amine
CID 44404152
2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-(2,2-difluoro-1-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine
CID 91448142
1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole
CID 158183431
2-[(3-chlorophenyl)methyl]-N-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]-6-methyl-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-fluoromethyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine
CID 158476846
2-[(3-chlorophenyl)methyl]-N-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]-1,3-benzoxazol-4-amine;2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;2-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[4-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-[1,3]oxazolo[4,5-c]pyridin-2-yl]ethanol;2-[1-(3,5-dichlorophenyl)ethyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]-2-[[3-(tetrazol-1-yl)-2-pyridinyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 158778140
1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159470995
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159543739
2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2-difluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]-6-methyl-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-(2-piperidin-2-ylethyl)-2-[[2-(tetrazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 159549616
6-chloro-2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-6-methyl-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethenyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine
CID 159854425
N-[2-(1-benzylpiperidin-2-yl)-2,2-difluoroethyl]-2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;bis(2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine);2-[2-[2-[[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-yl]amino]ethyl]piperidin-1-yl]acetic acid
CID 159985232
N-[2-(1-benzylpiperidin-2-yl)ethyl]-2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-6-methyl-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[2-[2-[[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-yl]amino]ethyl]piperidin-1-yl]ethanol;2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;ethyl 2-[2-[2-[[2-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-c]pyridin-4-yl]amino]ethyl]piperidin-1-yl]acetate
CID 160046103
1-chloro-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;N,N-dimethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyrido[2,3-b]indol-9-amine;1-methoxy-N,N-dimethyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrido[3,4-b]indol-9-amine;1-methoxy-4-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[3,4-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine;3-[(2S)-1-methylpyrrolidin-2-yl]-4-(trifluoromethyl)-9H-pyrido[2,3-b]indole
CID 160452553

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine (CID 158918185) is 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine is CCC(c1nc2c(NCCC3CCCCN3CC)nccc2o1)c1cc(Cl)ccc1-n1cncn1.Cc1cc2oc(Cc3cccc(Cl)c3)nc2c(NCCC2CCCCN2)n1.FC(F)(CNc1cccc2oc(Cc3cc(Cl)ccc3Cl)nc12)c1ccccn1.FC(F)(CNc1cccc2oc(Cc3ccccc3-n3cncn3)nc12)C1CCCCN1.FC(F)(CNc1nccc2oc(Cc3cccc(Cl)c3)nc12)C1CCCCN1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine?
The InChIKey is JHMPFXCTAIUDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN7O.C23H24F2N6O.C21H15Cl2F2N3O.C21H25ClN4O.C20H21ClF2N4O/c1-3-20(21-15-18(27)8-9-22(21)34-17-28-16-31-34)26-32-24-23(35-26)11-13-30-25(24)29-12-10-19-7-5-6-14-33(19)4-2;24-23(25,20-10-3-4-11-27-20)13-28-17-7-5-9-19-22(17)30-21(32-19)12-16-6-1-2-8-18(16)31-15-26-14-29-31;22-14-7-8-15(23)13(10-14)11-19-28-20-16(4-3-5-17(20)29-19)27-12-21(24,25)18-6-1-2-9-26-18;1-14-11-18-20(21(25-14)24-10-8-17-7-2-3-9-23-17)26-19(27-18)13-15-5-4-6-16(22)12-15;21-14-5-3-4-13(10-14)11-17-27-18-15(28-17)7-9-25-19(18)26-12-20(22,23)16-6-1-2-8-24-16/h8-9,11,13,15-17,19-20H,3-7,10,12,14H2,1-2H3,(H,29,30);1-2,5-9,14-15,20,27-28H,3-4,10-13H2;1-10,27H,11-12H2;4-6,11-12,17,23H,2-3,7-10,13H2,1H3,(H,24,25);3-5,7,9-10,16,24H,1-2,6,8,11-12H2,(H,25,26).
What are the key properties of 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine?
2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine has a molecular weight of 2158.57 g/mol, XLogP of 25.56, 34 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-N-(2,2-difluoro-2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(3-chlorophenyl)methyl]-6-methyl-N-(2-piperidin-2-ylethyl)-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[1-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]propyl]-N-[2-(1-ethylpiperidin-2-yl)ethyl]-[1,3]oxazolo[4,5-c]pyridin-4-amine;2-[(2,5-dichlorophenyl)methyl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)-1,3-benzoxazol-4-amine;N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 158918185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).