tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol

C135H129F3N24O21 — CID 159178722

IUPACtert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol
SMILESCOc1cc(O)c(-c2nc(-c3ncccc3C)no2)c(OC)c1.COc1cc(OCc2ccccc2)c(-c2ccn(-c3ccccn3)n2)cc1OC.COc1ccc(-c2nc(-c3ccc(NC(=O)OC(C)(C)C)cn3)no2)c(O)c1.COc1ccc(-c2nc(-c3ncccc3C)no2)c(O)c1.COc1ccc(O)c(-c2nc(-c3ncccc3C)no2)c1.COc1ccc(OCc2ccccc2)c(-c2ccn(-c3ncccc3C(F)(F)F)n2)c1.Cc1cccnc1-c1nc(-c2cc3c4c(c2O)C(C)(C)CCN4CCC3(C)C)n[nH]1
InChIInChI=1S/C24H29N5O.C23H18F3N3O2.C23H21N3O3.C19H20N4O5.C16H15N3O4.2C15H13N3O3/c1-14-7-6-10-25-18(14)22-26-21(27-28-22)15-13-16-19-17(20(15)30)24(4,5)9-12-29(19)11-8-23(16,2)3;1-30-17-9-10-21(31-15-16-6-3-2-4-7-16)18(14-17)20-11-13-29(28-20)22-19(23(24,25)26)8-5-12-27-22;1-27-21-14-18(19-11-13-26(25-19)23-10-6-7-12-24-23)20(15-22(21)28-2)29-16-17-8-4-3-5-9-17;1-19(2,3)27-18(25)21-11-5-8-14(20-10-11)16-22-17(28-23-16)13-7-6-12(26-4)9-15(13)24;1-9-5-4-6-17-14(9)15-18-16(23-19-15)13-11(20)7-10(21-2)8-12(13)22-3;1-9-4-3-7-16-13(9)14-17-15(21-18-14)11-8-10(20-2)5-6-12(11)19;1-9-4-3-7-16-13(9)14-17-15(21-18-14)11-6-5-10(20-2)8-12(11)19/h6-7,10,13,30H,8-9,11-12H2,1-5H3,(H,26,27,28);2-14H,15H2,1H3;3-15H,16H2,1-2H3;5-10,24H,1-4H3,(H,21,25);4-8,20H,1-3H3;2*3-8,19H,1-2H3
InChIKeyKMPNMNIQMDIOMI-UHFFFAOYSA-N
MW2480.66 g/mol
LogP27.12
Rot. Bonds29

About tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol

tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol (PubChem CID 159178722) has the molecular formula C135H129F3N24O21 and a molecular weight of 2480.66 g/mol. Its IUPAC name is tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol.

Molecular Properties

Compound Nametert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol
PubChem CID159178722
Molecular FormulaC135H129F3N24O21
Molecular Weight2480.66 g/mol
Exact Mass2478.97
IUPAC Nametert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol
SMILESCOc1cc(O)c(-c2nc(-c3ncccc3C)no2)c(OC)c1.COc1cc(OCc2ccccc2)c(-c2ccn(-c3ccccn3)n2)cc1OC.COc1ccc(-c2nc(-c3ccc(NC(=O)OC(C)(C)C)cn3)no2)c(O)c1.COc1ccc(-c2nc(-c3ncccc3C)no2)c(O)c1.COc1ccc(O)c(-c2nc(-c3ncccc3C)no2)c1.COc1ccc(OCc2ccccc2)c(-c2ccn(-c3ncccc3C(F)(F)F)n2)c1.Cc1cccnc1-c1nc(-c2cc3c4c(c2O)C(C)(C)CCN4CCC3(C)C)n[nH]1
InChIInChI=1S/C24H29N5O.C23H18F3N3O2.C23H21N3O3.C19H20N4O5.C16H15N3O4.2C15H13N3O3/c1-14-7-6-10-25-18(14)22-26-21(27-28-22)15-13-16-19-17(20(15)30)24(4,5)9-12-29(19)11-8-23(16,2)3;1-30-17-9-10-21(31-15-16-6-3-2-4-7-16)18(14-17)20-11-13-29(28-20)22-19(23(24,25)26)8-5-12-27-22;1-27-21-14-18(19-11-13-26(25-19)23-10-6-7-12-24-23)20(15-22(21)28-2)29-16-17-8-4-3-5-9-17;1-19(2,3)27-18(25)21-11-5-8-14(20-10-11)16-22-17(28-23-16)13-7-6-12(26-4)9-15(13)24;1-9-5-4-6-17-14(9)15-18-16(23-19-15)13-11(20)7-10(21-2)8-12(13)22-3;1-9-4-3-7-16-13(9)14-17-15(21-18-14)11-8-10(20-2)5-6-12(11)19;1-9-4-3-7-16-13(9)14-17-15(21-18-14)11-6-5-10(20-2)8-12(11)19/h6-7,10,13,30H,8-9,11-12H2,1-5H3,(H,26,27,28);2-14H,15H2,1H3;3-15H,16H2,1-2H3;5-10,24H,1-4H3,(H,21,25);4-8,20H,1-3H3;2*3-8,19H,1-2H3
InChIKeyKMPNMNIQMDIOMI-UHFFFAOYSA-N
XLogP27.12
TPSA558.14 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds29
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002480.66
LogP ≤ 527.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Analyze tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol with MolForge

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Launch Full Analysis

Related Compounds

5-(4-Butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-cyclopentyloxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 159954025
5-(4-Butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,5-ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3-ethoxy-4-methoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazole;5-[4-methyl-3-(trifluoromethyl)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 160164983
5-(3,5-Ditert-butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole;5-(3,4-diethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;5-(3-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;5-ethoxy-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol;5-(2-ethyl-5-methylpyrazol-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 159169248
[4-[5-[4-[3-[4-(2-ethylhexoxycarbonyloxy)-2-fluorophenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]-3-fluorophenyl] 2-ethylhexyl carbonate;2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide;[4-(1H-imidazol-2-yl)phenyl] phenyl carbonate;[2-methoxy-4-[5-[3-methoxy-4-(2,4,5-trimethoxybenzoyl)oxyphenyl]-1,3,4-oxadiazol-2-yl]phenyl] 2,4,5-trimethoxybenzoate;[4-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]phenyl] 2,4,5-trimethoxybenzoate;3-methyl-N-[6-methyl-2-[(3-methylbenzoyl)amino]pyrimidin-4-yl]benzamide;molecular fluorine;2-phenyl-5-(4-phenylphenyl)-1,3,4-oxadiazole;6-phenyl-1,3,5-triazine-2,4-diamine;1,3,5-triphenylpyrazole
CID 160686781
2,6-difluoro-4-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-dimethyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-hydroxy-4-methoxy-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methyl-N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 160792550

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol?
The IUPAC name of tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol (CID 159178722) is tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol.
What is the SMILES notation for tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol?
The canonical SMILES for tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol is COc1cc(O)c(-c2nc(-c3ncccc3C)no2)c(OC)c1.COc1cc(OCc2ccccc2)c(-c2ccn(-c3ccccn3)n2)cc1OC.COc1ccc(-c2nc(-c3ccc(NC(=O)OC(C)(C)C)cn3)no2)c(O)c1.COc1ccc(-c2nc(-c3ncccc3C)no2)c(O)c1.COc1ccc(O)c(-c2nc(-c3ncccc3C)no2)c1.COc1ccc(OCc2ccccc2)c(-c2ccn(-c3ncccc3C(F)(F)F)n2)c1.Cc1cccnc1-c1nc(-c2cc3c4c(c2O)C(C)(C)CCN4CCC3(C)C)n[nH]1.
What is the InChIKey of tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol?
The InChIKey is KMPNMNIQMDIOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O.C23H18F3N3O2.C23H21N3O3.C19H20N4O5.C16H15N3O4.2C15H13N3O3/c1-14-7-6-10-25-18(14)22-26-21(27-28-22)15-13-16-19-17(20(15)30)24(4,5)9-12-29(19)11-8-23(16,2)3;1-30-17-9-10-21(31-15-16-6-3-2-4-7-16)18(14-17)20-11-13-29(28-20)22-19(23(24,25)26)8-5-12-27-22;1-27-21-14-18(19-11-13-26(25-19)23-10-6-7-12-24-23)20(15-22(21)28-2)29-16-17-8-4-3-5-9-17;1-19(2,3)27-18(25)21-11-5-8-14(20-10-11)16-22-17(28-23-16)13-7-6-12(26-4)9-15(13)24;1-9-5-4-6-17-14(9)15-18-16(23-19-15)13-11(20)7-10(21-2)8-12(13)22-3;1-9-4-3-7-16-13(9)14-17-15(21-18-14)11-8-10(20-2)5-6-12(11)19;1-9-4-3-7-16-13(9)14-17-15(21-18-14)11-6-5-10(20-2)8-12(11)19/h6-7,10,13,30H,8-9,11-12H2,1-5H3,(H,26,27,28);2-14H,15H2,1H3;3-15H,16H2,1-2H3;5-10,24H,1-4H3,(H,21,25);4-8,20H,1-3H3;2*3-8,19H,1-2H3.
What are the key properties of tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol?
tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol has a molecular weight of 2480.66 g/mol, XLogP of 27.12, 29 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[5-(2-hydroxy-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate;3,5-dimethoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(4,5-dimethoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]pyridine;4-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;5-methoxy-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol;2-[3-(5-methoxy-2-phenylmethoxyphenyl)pyrazol-1-yl]-3-(trifluoromethyl)pyridine;4,4,10,10-tetramethyl-7-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol is sourced from PubChem (CID 159178722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).