2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane

C207H318BrN31O12S — CID 157161884

IUPAC2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane
SMILESC.C.C.C#Cc1cccc(CC(C)(C)C)n1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1ccccc1C1CC1.CC(C)(C)Cc1cccnc1Br.CC(C)(C)Cc1coc(C2CC2)n1.CC(C)(C)Cc1coc(C2CCC2)n1.CC(C)(C)Cc1ncc(C(C)(C)C)o1.CC(C)(C)Cc1nccc(C2CC2)n1.CC(C)(C)Cc1nnc(C2CC2)o1.CC(C)(C)Cc1nnc(C2CC2)s1.CC(C)(C)Cc1noc(-c2ccccn2)n1.CC(c1nc(-c2ncccn2)no1)C(C)(C)C.CC(c1nc(C2CC2)no1)C(C)(C)C.COc1cc(OC)nc(CC(C)(C)C)n1.Cc1cc(C)nc(CC(C)(C)C)n1.Cc1coc(CC(C)(C)C)n1.Cc1nonc1CC(C)(C)C.Cn1c(CCC(C)(C)C)nc2ccccc21
InChIInChI=1S/C14H20N2.C14H20.C13H16N2O.C12H16N4O.C12H15N3O.C12H18N2.C12H19NO.C12H21NO.C12H15N.C11H18N2O2.C11H18N2O.C11H18N2.C11H17NO.C10H14BrN.C10H16N2O.C10H16N2S.C9H15NO.C8H14N2O.3CH4/c1-14(2,3)10-9-13-15-11-7-5-6-8-12(11)16(13)4;1-14(2,3)10-12-6-4-5-7-13(12)11-8-9-11;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-8(12(2,3)4)11-15-10(16-17-11)9-13-6-5-7-14-9;1-12(2,3)8-10-14-11(16-15-10)9-6-4-5-7-13-9;1-12(2,3)8-11-13-7-6-10(14-11)9-4-5-9;1-12(2,3)7-10-8-14-11(13-10)9-5-4-6-9;1-11(2,3)7-10-13-8-9(14-10)12(4,5)6;1-5-10-7-6-8-11(13-10)9-12(2,3)4;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8;1-8-6-9(2)13-10(12-8)7-11(3,4)5;1-11(2,3)6-9-7-13-10(12-9)8-4-5-8;1-10(2,3)7-8-5-4-6-12-9(8)11;2*1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-7-6-11-8(10-7)5-9(2,3)4;1-6-7(10-11-9-6)5-8(2,3)4;;;/h5-8H,9-10H2,1-4H3;4-7,11H,8-10H2,1-3H3;4-8H,9H2,1-3H3;5-8H,1-4H3;4-7H,8H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;8-9H,4-7H2,1-3H3;8H,7H2,1-6H3;1,6-8H,9H2,2-4H3;6H,7H2,1-5H3;7-8H,5-6H2,1-4H3;6H,7H2,1-5H3;7-8H,4-6H2,1-3H3;4-6H,7H2,1-3H3;2*7H,4-6H2,1-3H3;6H,5H2,1-4H3;5H2,1-4H3;3*1H4
InChIKeyAMLYQKKPWIYTTM-UHFFFAOYSA-N
MW3545.00 g/mol
LogP55.53
Rot. Bonds31

About 2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane

2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane (PubChem CID 157161884) has the molecular formula C207H318BrN31O12S and a molecular weight of 3545.00 g/mol. Its IUPAC name is 2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane.

Molecular Properties

Compound Name2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane
PubChem CID157161884
Molecular FormulaC207H318BrN31O12S
Molecular Weight3545.00 g/mol
Exact Mass3541.41
IUPAC Name2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane
SMILESC.C.C.C#Cc1cccc(CC(C)(C)C)n1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1ccccc1C1CC1.CC(C)(C)Cc1cccnc1Br.CC(C)(C)Cc1coc(C2CC2)n1.CC(C)(C)Cc1coc(C2CCC2)n1.CC(C)(C)Cc1ncc(C(C)(C)C)o1.CC(C)(C)Cc1nccc(C2CC2)n1.CC(C)(C)Cc1nnc(C2CC2)o1.CC(C)(C)Cc1nnc(C2CC2)s1.CC(C)(C)Cc1noc(-c2ccccn2)n1.CC(c1nc(-c2ncccn2)no1)C(C)(C)C.CC(c1nc(C2CC2)no1)C(C)(C)C.COc1cc(OC)nc(CC(C)(C)C)n1.Cc1cc(C)nc(CC(C)(C)C)n1.Cc1coc(CC(C)(C)C)n1.Cc1nonc1CC(C)(C)C.Cn1c(CCC(C)(C)C)nc2ccccc21
InChIInChI=1S/C14H20N2.C14H20.C13H16N2O.C12H16N4O.C12H15N3O.C12H18N2.C12H19NO.C12H21NO.C12H15N.C11H18N2O2.C11H18N2O.C11H18N2.C11H17NO.C10H14BrN.C10H16N2O.C10H16N2S.C9H15NO.C8H14N2O.3CH4/c1-14(2,3)10-9-13-15-11-7-5-6-8-12(11)16(13)4;1-14(2,3)10-12-6-4-5-7-13(12)11-8-9-11;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-8(12(2,3)4)11-15-10(16-17-11)9-13-6-5-7-14-9;1-12(2,3)8-10-14-11(16-15-10)9-6-4-5-7-13-9;1-12(2,3)8-11-13-7-6-10(14-11)9-4-5-9;1-12(2,3)7-10-8-14-11(13-10)9-5-4-6-9;1-11(2,3)7-10-13-8-9(14-10)12(4,5)6;1-5-10-7-6-8-11(13-10)9-12(2,3)4;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8;1-8-6-9(2)13-10(12-8)7-11(3,4)5;1-11(2,3)6-9-7-13-10(12-9)8-4-5-8;1-10(2,3)7-8-5-4-6-12-9(8)11;2*1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-7-6-11-8(10-7)5-9(2,3)4;1-6-7(10-11-9-6)5-8(2,3)4;;;/h5-8H,9-10H2,1-4H3;4-7,11H,8-10H2,1-3H3;4-8H,9H2,1-3H3;5-8H,1-4H3;4-7H,8H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;8-9H,4-7H2,1-3H3;8H,7H2,1-6H3;1,6-8H,9H2,2-4H3;6H,7H2,1-5H3;7-8H,5-6H2,1-4H3;6H,7H2,1-5H3;7-8H,4-6H2,1-3H3;4-6H,7H2,1-3H3;2*7H,4-6H2,1-3H3;6H,5H2,1-4H3;5H2,1-4H3;3*1H4
InChIKeyAMLYQKKPWIYTTM-UHFFFAOYSA-N
XLogP55.53
TPSA541.49 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds31
Heavy Atoms252
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003545.00
LogP ≤ 555.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane?
The IUPAC name of 2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane (CID 157161884) is 2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane.
What is the SMILES notation for 2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane?
The canonical SMILES for 2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane is C.C.C.C#Cc1cccc(CC(C)(C)C)n1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1ccccc1C1CC1.CC(C)(C)Cc1cccnc1Br.CC(C)(C)Cc1coc(C2CC2)n1.CC(C)(C)Cc1coc(C2CCC2)n1.CC(C)(C)Cc1ncc(C(C)(C)C)o1.CC(C)(C)Cc1nccc(C2CC2)n1.CC(C)(C)Cc1nnc(C2CC2)o1.CC(C)(C)Cc1nnc(C2CC2)s1.CC(C)(C)Cc1noc(-c2ccccn2)n1.CC(c1nc(-c2ncccn2)no1)C(C)(C)C.CC(c1nc(C2CC2)no1)C(C)(C)C.COc1cc(OC)nc(CC(C)(C)C)n1.Cc1cc(C)nc(CC(C)(C)C)n1.Cc1coc(CC(C)(C)C)n1.Cc1nonc1CC(C)(C)C.Cn1c(CCC(C)(C)C)nc2ccccc21.
What is the InChIKey of 2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane?
The InChIKey is AMLYQKKPWIYTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C14H20.C13H16N2O.C12H16N4O.C12H15N3O.C12H18N2.C12H19NO.C12H21NO.C12H15N.C11H18N2O2.C11H18N2O.C11H18N2.C11H17NO.C10H14BrN.C10H16N2O.C10H16N2S.C9H15NO.C8H14N2O.3CH4/c1-14(2,3)10-9-13-15-11-7-5-6-8-12(11)16(13)4;1-14(2,3)10-12-6-4-5-7-13(12)11-8-9-11;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-8(12(2,3)4)11-15-10(16-17-11)9-13-6-5-7-14-9;1-12(2,3)8-10-14-11(16-15-10)9-6-4-5-7-13-9;1-12(2,3)8-11-13-7-6-10(14-11)9-4-5-9;1-12(2,3)7-10-8-14-11(13-10)9-5-4-6-9;1-11(2,3)7-10-13-8-9(14-10)12(4,5)6;1-5-10-7-6-8-11(13-10)9-12(2,3)4;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-7(11(2,3)4)10-12-9(13-14-10)8-5-6-8;1-8-6-9(2)13-10(12-8)7-11(3,4)5;1-11(2,3)6-9-7-13-10(12-9)8-4-5-8;1-10(2,3)7-8-5-4-6-12-9(8)11;2*1-10(2,3)6-8-11-12-9(13-8)7-4-5-7;1-7-6-11-8(10-7)5-9(2,3)4;1-6-7(10-11-9-6)5-8(2,3)4;;;/h5-8H,9-10H2,1-4H3;4-7,11H,8-10H2,1-3H3;4-8H,9H2,1-3H3;5-8H,1-4H3;4-7H,8H2,1-3H3;6-7,9H,4-5,8H2,1-3H3;8-9H,4-7H2,1-3H3;8H,7H2,1-6H3;1,6-8H,9H2,2-4H3;6H,7H2,1-5H3;7-8H,5-6H2,1-4H3;6H,7H2,1-5H3;7-8H,4-6H2,1-3H3;4-6H,7H2,1-3H3;2*7H,4-6H2,1-3H3;6H,5H2,1-4H3;5H2,1-4H3;3*1H4.
What are the key properties of 2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane?
2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane has a molecular weight of 3545.00 g/mol, XLogP of 55.53, 31 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2,2-dimethylpropyl)pyridine;5-tert-butyl-2-(2,2-dimethylpropyl)-1,3-oxazole;2-cyclobutyl-4-(2,2-dimethylpropyl)-1,3-oxazole;3-cyclopropyl-5-(3,3-dimethylbutan-2-yl)-1,2,4-oxadiazole;1-cyclopropyl-2-(2,2-dimethylpropyl)benzene;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-cyclopropyl-4-(2,2-dimethylpropyl)-1,3-oxazole;4-cyclopropyl-2-(2,2-dimethylpropyl)pyrimidine;2-cyclopropyl-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole;5-(3,3-dimethylbutan-2-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;2-(3,3-dimethylbutyl)-1-methylbenzimidazole;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethylpyrimidine;2-(2,2-dimethylpropyl)-6-ethynylpyridine;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane is sourced from PubChem (CID 157161884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).