5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole

C228H288N40O32 — CID 163439176

IUPAC5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nc(C3CCOCC3)no2)cn1.CC(C)(C)c1ccc(-c2nnc(C3CCOCC3)o2)cc1.CC(C)c1ccc(-c2nc(C3CCOCC3)no2)cc1.CC(C)c1ccc(-c2nnc(C3CCOCC3)o2)cn1.COc1cc(-c2nc(C)no2)ccc1C(C)C.COc1cc(-c2nc(C)no2)cnc1C(C)C.COc1cc(-c2nc(C3CCOCC3)no2)ccc1C(C)C.COc1cc(-c2nc(C3CCOCC3)no2)cnc1C(C)(C)C.COc1cc(-c2nnc(C)o2)ccc1C(C)C.COc1cc(-c2nnc(C)o2)cnc1C(C)C.COc1cc(-c2nnc(C3CCOCC3)o2)ccc1C(C)C.COc1cc(-c2nnc(C3CCOCC3)o2)cnc1C(C)C.Cc1nnc(-c2ccc(C(C)C)cc2)o1.Cc1nnc(-c2ccc(C(C)C)nc2)o1.Cc1noc(-c2ccc(C(C)(C)C)cc2)n1.Cc1noc(-c2ccc(C(C)C)nc2)n1
InChIInChI=1S/C17H23N3O3.2C17H22N2O3.C17H22N2O2.C16H21N3O3.C16H21N3O2.C16H20N2O2.C15H19N3O2.2C13H16N2O2.C13H16N2O.2C12H15N3O2.C12H14N2O.2C11H13N3O/c1-17(2,3)14-13(21-4)9-12(10-18-14)16-19-15(20-23-16)11-5-7-22-8-6-11;1-11(2)14-5-4-13(10-15(14)20-3)17-19-18-16(22-17)12-6-8-21-9-7-12;1-11(2)14-5-4-13(10-15(14)20-3)17-18-16(19-22-17)12-6-8-21-9-7-12;1-17(2,3)14-6-4-12(5-7-14)15-18-19-16(21-15)13-8-10-20-11-9-13;1-10(2)14-13(20-3)8-12(9-17-14)16-19-18-15(22-16)11-4-6-21-7-5-11;1-16(2,3)13-5-4-12(10-17-13)15-18-14(19-21-15)11-6-8-20-9-7-11;1-11(2)12-3-5-14(6-4-12)16-17-15(18-20-16)13-7-9-19-10-8-13;1-10(2)13-4-3-12(9-16-13)15-18-17-14(20-15)11-5-7-19-8-6-11;1-8(2)11-6-5-10(7-12(11)16-4)13-15-14-9(3)17-13;1-8(2)11-6-5-10(7-12(11)16-4)13-14-9(3)15-17-13;1-9-14-12(16-15-9)10-5-7-11(8-6-10)13(2,3)4;1-7(2)11-10(16-4)5-9(6-13-11)12-15-14-8(3)17-12;1-7(2)11-10(16-4)5-9(6-13-11)12-14-8(3)15-17-12;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-7(2)10-5-4-9(6-12-10)11-14-13-8(3)15-11;1-7(2)10-5-4-9(6-12-10)11-13-8(3)14-15-11/h9-11H,5-8H2,1-4H3;2*4-5,10-12H,6-9H2,1-3H3;4-7,13H,8-11H2,1-3H3;8-11H,4-7H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;3-6,11,13H,7-10H2,1-2H3;3-4,9-11H,5-8H2,1-2H3;2*5-8H,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3;4-8H,1-3H3;2*4-7H,1-3H3
InChIKeyAXBBHJTZZKKWOI-UHFFFAOYSA-N
MW4101.06 g/mol
LogP51.30
Rot. Bonds44

About 5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole

5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 163439176) has the molecular formula C228H288N40O32 and a molecular weight of 4101.06 g/mol. Its IUPAC name is 5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole
PubChem CID163439176
Molecular FormulaC228H288N40O32
Molecular Weight4101.06 g/mol
Exact Mass4098.21
IUPAC Name5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nc(C3CCOCC3)no2)cn1.CC(C)(C)c1ccc(-c2nnc(C3CCOCC3)o2)cc1.CC(C)c1ccc(-c2nc(C3CCOCC3)no2)cc1.CC(C)c1ccc(-c2nnc(C3CCOCC3)o2)cn1.COc1cc(-c2nc(C)no2)ccc1C(C)C.COc1cc(-c2nc(C)no2)cnc1C(C)C.COc1cc(-c2nc(C3CCOCC3)no2)ccc1C(C)C.COc1cc(-c2nc(C3CCOCC3)no2)cnc1C(C)(C)C.COc1cc(-c2nnc(C)o2)ccc1C(C)C.COc1cc(-c2nnc(C)o2)cnc1C(C)C.COc1cc(-c2nnc(C3CCOCC3)o2)ccc1C(C)C.COc1cc(-c2nnc(C3CCOCC3)o2)cnc1C(C)C.Cc1nnc(-c2ccc(C(C)C)cc2)o1.Cc1nnc(-c2ccc(C(C)C)nc2)o1.Cc1noc(-c2ccc(C(C)(C)C)cc2)n1.Cc1noc(-c2ccc(C(C)C)nc2)n1
InChIInChI=1S/C17H23N3O3.2C17H22N2O3.C17H22N2O2.C16H21N3O3.C16H21N3O2.C16H20N2O2.C15H19N3O2.2C13H16N2O2.C13H16N2O.2C12H15N3O2.C12H14N2O.2C11H13N3O/c1-17(2,3)14-13(21-4)9-12(10-18-14)16-19-15(20-23-16)11-5-7-22-8-6-11;1-11(2)14-5-4-13(10-15(14)20-3)17-19-18-16(22-17)12-6-8-21-9-7-12;1-11(2)14-5-4-13(10-15(14)20-3)17-18-16(19-22-17)12-6-8-21-9-7-12;1-17(2,3)14-6-4-12(5-7-14)15-18-19-16(21-15)13-8-10-20-11-9-13;1-10(2)14-13(20-3)8-12(9-17-14)16-19-18-15(22-16)11-4-6-21-7-5-11;1-16(2,3)13-5-4-12(10-17-13)15-18-14(19-21-15)11-6-8-20-9-7-11;1-11(2)12-3-5-14(6-4-12)16-17-15(18-20-16)13-7-9-19-10-8-13;1-10(2)13-4-3-12(9-16-13)15-18-17-14(20-15)11-5-7-19-8-6-11;1-8(2)11-6-5-10(7-12(11)16-4)13-15-14-9(3)17-13;1-8(2)11-6-5-10(7-12(11)16-4)13-14-9(3)15-17-13;1-9-14-12(16-15-9)10-5-7-11(8-6-10)13(2,3)4;1-7(2)11-10(16-4)5-9(6-13-11)12-15-14-8(3)17-12;1-7(2)11-10(16-4)5-9(6-13-11)12-14-8(3)15-17-12;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-7(2)10-5-4-9(6-12-10)11-14-13-8(3)15-11;1-7(2)10-5-4-9(6-12-10)11-13-8(3)14-15-11/h9-11H,5-8H2,1-4H3;2*4-5,10-12H,6-9H2,1-3H3;4-7,13H,8-11H2,1-3H3;8-11H,4-7H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;3-6,11,13H,7-10H2,1-2H3;3-4,9-11H,5-8H2,1-2H3;2*5-8H,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3;4-8H,1-3H3;2*4-7H,1-3H3
InChIKeyAXBBHJTZZKKWOI-UHFFFAOYSA-N
XLogP51.30
TPSA873.52 Ų
H-Bond Donors
H-Bond Acceptors72
Rotatable Bonds44
Heavy Atoms300
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004101.06
LogP ≤ 551.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1072

Analyze 5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole (CID 163439176) is 5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole is CC(C)(C)c1ccc(-c2nc(C3CCOCC3)no2)cn1.CC(C)(C)c1ccc(-c2nnc(C3CCOCC3)o2)cc1.CC(C)c1ccc(-c2nc(C3CCOCC3)no2)cc1.CC(C)c1ccc(-c2nnc(C3CCOCC3)o2)cn1.COc1cc(-c2nc(C)no2)ccc1C(C)C.COc1cc(-c2nc(C)no2)cnc1C(C)C.COc1cc(-c2nc(C3CCOCC3)no2)ccc1C(C)C.COc1cc(-c2nc(C3CCOCC3)no2)cnc1C(C)(C)C.COc1cc(-c2nnc(C)o2)ccc1C(C)C.COc1cc(-c2nnc(C)o2)cnc1C(C)C.COc1cc(-c2nnc(C3CCOCC3)o2)ccc1C(C)C.COc1cc(-c2nnc(C3CCOCC3)o2)cnc1C(C)C.Cc1nnc(-c2ccc(C(C)C)cc2)o1.Cc1nnc(-c2ccc(C(C)C)nc2)o1.Cc1noc(-c2ccc(C(C)(C)C)cc2)n1.Cc1noc(-c2ccc(C(C)C)nc2)n1.
What is the InChIKey of 5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is AXBBHJTZZKKWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.2C17H22N2O3.C17H22N2O2.C16H21N3O3.C16H21N3O2.C16H20N2O2.C15H19N3O2.2C13H16N2O2.C13H16N2O.2C12H15N3O2.C12H14N2O.2C11H13N3O/c1-17(2,3)14-13(21-4)9-12(10-18-14)16-19-15(20-23-16)11-5-7-22-8-6-11;1-11(2)14-5-4-13(10-15(14)20-3)17-19-18-16(22-17)12-6-8-21-9-7-12;1-11(2)14-5-4-13(10-15(14)20-3)17-18-16(19-22-17)12-6-8-21-9-7-12;1-17(2,3)14-6-4-12(5-7-14)15-18-19-16(21-15)13-8-10-20-11-9-13;1-10(2)14-13(20-3)8-12(9-17-14)16-19-18-15(22-16)11-4-6-21-7-5-11;1-16(2,3)13-5-4-12(10-17-13)15-18-14(19-21-15)11-6-8-20-9-7-11;1-11(2)12-3-5-14(6-4-12)16-17-15(18-20-16)13-7-9-19-10-8-13;1-10(2)13-4-3-12(9-16-13)15-18-17-14(20-15)11-5-7-19-8-6-11;1-8(2)11-6-5-10(7-12(11)16-4)13-15-14-9(3)17-13;1-8(2)11-6-5-10(7-12(11)16-4)13-14-9(3)15-17-13;1-9-14-12(16-15-9)10-5-7-11(8-6-10)13(2,3)4;1-7(2)11-10(16-4)5-9(6-13-11)12-15-14-8(3)17-12;1-7(2)11-10(16-4)5-9(6-13-11)12-14-8(3)15-17-12;1-8(2)10-4-6-11(7-5-10)12-14-13-9(3)15-12;1-7(2)10-5-4-9(6-12-10)11-14-13-8(3)15-11;1-7(2)10-5-4-9(6-12-10)11-13-8(3)14-15-11/h9-11H,5-8H2,1-4H3;2*4-5,10-12H,6-9H2,1-3H3;4-7,13H,8-11H2,1-3H3;8-11H,4-7H2,1-3H3;4-5,10-11H,6-9H2,1-3H3;3-6,11,13H,7-10H2,1-2H3;3-4,9-11H,5-8H2,1-2H3;2*5-8H,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3;4-8H,1-3H3;2*4-7H,1-3H3.
What are the key properties of 5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole?
5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 4101.06 g/mol, XLogP of 51.30, 44 rotatable bonds, 0 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-tert-butyl-5-methoxy-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;5-(4-tert-butylphenyl)-3-methyl-1,2,4-oxadiazole;2-(4-tert-butylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(6-tert-butyl-3-pyridinyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-methyl-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-methyl-1,2,4-oxadiazole;2-(3-methoxy-4-propan-2-ylphenyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;5-(3-methoxy-4-propan-2-ylphenyl)-3-(oxan-4-yl)-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-methyl-1,3,4-oxadiazole;5-(5-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1,2,4-oxadiazole;2-(5-methoxy-6-propan-2-yl-3-pyridinyl)-5-(oxan-4-yl)-1,3,4-oxadiazole;2-methyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole;2-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole;3-methyl-5-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole;3-(oxan-4-yl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole;2-(oxan-4-yl)-5-(6-propan-2-yl-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 163439176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).