6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine

C156H195Cl2N13O7S2 — CID 158769774

IUPAC6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine
SMILESCC(C)(C)c1cc(Cl)ccc1Cl.CC(C)(C)c1ccc(-c2cnco2)cc1.CC(C)(C)c1ccc(N2CCOCC2)nc1.CC(C)(C)c1ccc(Oc2ccccc2)nc1.CC(C)(C)c1ccc(Oc2ccccn2)cc1.CC(C)(C)c1ccc(Oc2cccnc2)cc1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cnccn1.CN1CCOc2ccc(C(C)(C)C)cc21.Cc1ccc(Oc2cccc(C(C)(C)C)c2)nc1.Cc1nc(-c2cccc(C(C)(C)C)c2)cs1.Cn1ccc2c(C(C)(C)C)cccc21
InChIInChI=1S/C16H19NO.3C15H17NO.C14H17NS.C13H20N2O.C13H19NO.C13H15NO.C13H17N.C11H13NS.C10H12Cl2.C8H12N2/c1-12-8-9-15(17-11-12)18-14-7-5-6-13(10-14)16(2,3)4;1-15(2,3)12-6-8-13(9-7-12)17-14-5-4-10-16-11-14;1-15(2,3)12-7-9-13(10-8-12)17-14-6-4-5-11-16-14;1-15(2,3)12-9-10-14(16-11-12)17-13-7-5-4-6-8-13;1-10-15-13(9-16-10)11-6-5-7-12(8-11)14(2,3)4;1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-13(2,3)10-5-6-12-11(9-10)14(4)7-8-15-12;1-13(2,3)11-6-4-10(5-7-11)12-8-14-9-15-12;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-6-7(11)4-5-9(8)12;1-8(2,3)7-6-9-4-5-10-7/h5-11H,1-4H3;3*4-11H,1-3H3;5-9H,1-4H3;4-5,10H,6-9H2,1-3H3;5-6,9H,7-8H2,1-4H3;4-9H,1-3H3;5-9H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3
InChIKeyIPSHCKJZCGNOFJ-UHFFFAOYSA-N
MW2499.40 g/mol
LogP43.21
Rot. Bonds11

About 6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine

6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine (PubChem CID 158769774) has the molecular formula C156H195Cl2N13O7S2 and a molecular weight of 2499.40 g/mol. Its IUPAC name is 6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine
PubChem CID158769774
Molecular FormulaC156H195Cl2N13O7S2
Molecular Weight2499.40 g/mol
Exact Mass2496.41
IUPAC Name6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine
SMILESCC(C)(C)c1cc(Cl)ccc1Cl.CC(C)(C)c1ccc(-c2cnco2)cc1.CC(C)(C)c1ccc(N2CCOCC2)nc1.CC(C)(C)c1ccc(Oc2ccccc2)nc1.CC(C)(C)c1ccc(Oc2ccccn2)cc1.CC(C)(C)c1ccc(Oc2cccnc2)cc1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cnccn1.CN1CCOc2ccc(C(C)(C)C)cc21.Cc1ccc(Oc2cccc(C(C)(C)C)c2)nc1.Cc1nc(-c2cccc(C(C)(C)C)c2)cs1.Cn1ccc2c(C(C)(C)C)cccc21
InChIInChI=1S/C16H19NO.3C15H17NO.C14H17NS.C13H20N2O.C13H19NO.C13H15NO.C13H17N.C11H13NS.C10H12Cl2.C8H12N2/c1-12-8-9-15(17-11-12)18-14-7-5-6-13(10-14)16(2,3)4;1-15(2,3)12-6-8-13(9-7-12)17-14-5-4-10-16-11-14;1-15(2,3)12-7-9-13(10-8-12)17-14-6-4-5-11-16-14;1-15(2,3)12-9-10-14(16-11-12)17-13-7-5-4-6-8-13;1-10-15-13(9-16-10)11-6-5-7-12(8-11)14(2,3)4;1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-13(2,3)10-5-6-12-11(9-10)14(4)7-8-15-12;1-13(2,3)11-6-4-10(5-7-11)12-8-14-9-15-12;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-6-7(11)4-5-9(8)12;1-8(2,3)7-6-9-4-5-10-7/h5-11H,1-4H3;3*4-11H,1-3H3;5-9H,1-4H3;4-5,10H,6-9H2,1-3H3;5-6,9H,7-8H2,1-4H3;4-9H,1-3H3;5-9H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3
InChIKeyIPSHCKJZCGNOFJ-UHFFFAOYSA-N
XLogP43.21
TPSA208.83 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds11
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002499.40
LogP ≤ 543.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(1,3-Benzothiazol-2-yl)-3,8-bis(9,9-dimethylacridin-10-yl)phenanthren-1-yl]-1,3-benzothiazole;2-[6-(1,3-benzoxazol-2-yl)-3,8-bis(9,9-dimethylacridin-10-yl)phenanthren-1-yl]-1,3-benzoxazole;2-[1,6-bis(9,9-dimethylacridin-10-yl)-8-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenanthren-3-yl]-[1,3]oxazolo[5,4-b]pyridine;10-[6-(9,9-dimethylacridin-10-yl)-3,8-bis(1-phenylbenzimidazol-2-yl)phenanthren-1-yl]-9,9-dimethylacridine
CID 157063066
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole;2-(4-fluorophenyl)-6-methyl-1,3-benzoxazole;7-methoxy-2,10-dimethylphenothiazine;2-methyl-1,3-benzoxazole;6-methyl-1,3-benzoxazole;7-methyl-5H-chromeno[2,3-b]pyridine;2-(4-methylphenyl)imidazo[1,2-a]pyridine;2-(4-methylphenyl)-3H-isoindol-1-one;2-[(4-methylphenyl)methyl]cyclopentan-1-one;(4-methylphenyl)-thiophen-2-ylmethanone;(5-methylthiophen-2-yl)-phenylmethanone
CID 157189192
5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butylisoquinoline;7-tert-butylisoquinoline;5-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline
CID 157236005
5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butylisoquinoline;7-tert-butylisoquinoline;5-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline
CID 157253439
6-Benzo[c]phenanthren-5-yl-1,3-benzothiazole;6-benzo[c]phenanthren-5-yl-1,3-benzoxazole;6-benzo[c]phenanthren-5-ylisoquinoline;6-benzo[c]phenanthren-5-yl-1-methylbenzimidazole;2-benzo[c]phenanthren-5-ylpyridine;2-benzo[c]phenanthren-5-ylpyrimidine;8-benzo[c]phenanthren-5-ylquinoline;2-benzo[c]phenanthren-5-yl-1,3,5-triazine;2-[2,8-bis(1,3,5-triazin-2-yl)benzo[c]phenanthren-5-yl]-1,3,5-triazine;6-(3-isoquinolin-6-ylbenzo[c]phenanthren-8-yl)isoquinoline;2-(3-pyridin-2-ylbenzo[c]phenanthren-8-yl)pyridine;2-(3-pyrimidin-2-ylbenzo[c]phenanthren-8-yl)pyrimidine;5-(3-quinolin-5-ylbenzo[c]phenanthren-8-yl)quinoline;6-(2-quinolin-6-ylbenzo[c]phenanthren-8-yl)quinoline;8-(3-quinolin-8-ylbenzo[c]phenanthren-8-yl)quinoline;2-[2-(1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazine;2-[3-(1,3,5-triazin-2-yl)benzo[c]phenanthren-8-yl]-1,3,5-triazine
CID 157315209
2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-phenylbenzimidazole;3,3-dimethylbutan-2-one;2,2-dimethyl-1-phenylpropan-1-one;undecakis(2,2-dimethylpropane);2,2-dimethylpropanenitrile;ethane;10H-phenanthren-9-one;phenanthridine;1,10-phenanthroline;pyridine;quinoline
CID 157342493
6-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzothiazol-2-amine;6-tert-butyl-1,3-benzothiazol-2-amine;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazol-2-amine;6-tert-butyl-4-chloro-1H-benzimidazole;2-tert-butyl-4-chlorocyclohexa-2,4-dien-1-one;3-tert-butyl-5-chloropyridin-2-amine;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butylfuro[2,3-b]pyridine;6-tert-butylfuro[3,2-b]pyridine;6-tert-butyl-4-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1,3-benzothiazole;6-tert-butyl-2-methyl-1,3-benzothiazole;5-tert-butyl-2-methyl-1,3-benzoxazole;2-tert-butyl-4-methylcyclohexa-2,4-dien-1-one;3-tert-butylquinoline;5-tert-butylthieno[2,3-b]pyridine;6-tert-butylthieno[3,2-b]pyridine
CID 157348655
6-Tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;2-tert-butyl-4-chloropyridine;2-tert-butyl-5-chloropyridine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-3,5-difluorobenzene;2-tert-butyl-1,4-difluorobenzene;4-tert-butyl-1,2-difluorobenzene;1-tert-butyl-4-fluorobenzene;3-tert-butyl-5-fluorobenzonitrile;2-tert-butyl-3-fluoropyridine;2-tert-butyl-4-fluoropyridine;2-tert-butyl-5-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-3-fluoropyridine;1-tert-butyl-2-isocyanobenzene;3-tert-butylisoquinoline;1-tert-butyl-4-methoxybenzene;2-tert-butyl-5-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;5-(4-tert-butylphenyl)-4,5-dihydro-1,3-oxazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine
CID 157375328
1,2-Dimethyl-5-propan-2-ylbenzimidazole;ethane;1-methyl-5-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-6-propan-2-ylindole;2-methyl-6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;3-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157429059
6-[3-[7-[3-(1,3-Benzothiazol-6-yl)phenyl]phenanthren-2-yl]phenyl]-1,3-benzothiazole;6-[3-[7-[3-(1,3-benzoxazol-6-yl)phenyl]phenanthren-2-yl]phenyl]-1,3-benzoxazole;1-methyl-2-[3-[7-[3-(1-methylbenzimidazol-2-yl)phenyl]phenanthren-2-yl]phenyl]benzimidazole;1-methyl-6-[3-[7-[3-(3-methylbenzimidazol-5-yl)phenyl]phenanthren-2-yl]phenyl]benzimidazole;1-methyl-2-(4-phenanthren-2-ylphenyl)benzimidazole;1-methyl-6-(4-phenanthren-2-ylphenyl)benzimidazole;1-methyl-2-(6-phenanthren-2-yl-2-pyridinyl)benzimidazole;1-methyl-6-(6-phenanthren-2-yl-2-pyridinyl)benzimidazole;6-(4-phenanthren-2-ylphenyl)-1,3-benzothiazole;2-(4-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(4-phenanthren-2-ylphenyl)-1,3-benzoxazole;6-(6-phenanthren-2-yl-2-pyridinyl)-1,3-benzothiazole;2-(6-phenanthren-2-yl-2-pyridinyl)-1,3-benzoxazole;6-(6-phenanthren-2-yl-2-pyridinyl)-1,3-benzoxazole
CID 157444964
2-[4-[6,10-Bis(4-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(3-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;6-(3-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(3-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(3-triphenylen-2-ylphenyl)-1,3-benzoxazole
CID 157573076
[4-(1H-benzimidazol-2-yl)phenyl]-(2,5-dichlorophenyl)methanone;[4-(1,3-benzothiazol-2-yl)phenyl]-(2,5-dichlorophenyl)methanone;[4-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-(2,5-dichlorophenyl)methanone;[4-(1,3-benzoxazol-2-yl)phenyl]-(2,5-dichlorophenyl)methanone;(2,5-dichlorophenyl)-(4-pyridin-2-yloxyphenyl)methanone;(2,5-dichlorophenyl)-(4-pyridin-3-yloxyphenyl)methanone;(2,5-dichlorophenyl)-(4-pyrimidin-2-yloxyphenyl)methanone;(2,5-dichlorophenyl)-(4-pyrimidin-2-ylsulfanylphenyl)methanone;(2,5-dichlorophenyl)-(4-quinolin-8-yloxyphenyl)methanone;(2,5-dichlorophenyl)-[4-(1,3-thiazol-2-ylsulfanyl)phenyl]methanone
CID 157573355

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine?
The IUPAC name of 6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine (CID 158769774) is 6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine.
What is the SMILES notation for 6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine?
The canonical SMILES for 6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine is CC(C)(C)c1cc(Cl)ccc1Cl.CC(C)(C)c1ccc(-c2cnco2)cc1.CC(C)(C)c1ccc(N2CCOCC2)nc1.CC(C)(C)c1ccc(Oc2ccccc2)nc1.CC(C)(C)c1ccc(Oc2ccccn2)cc1.CC(C)(C)c1ccc(Oc2cccnc2)cc1.CC(C)(C)c1ccc2ncsc2c1.CC(C)(C)c1cnccn1.CN1CCOc2ccc(C(C)(C)C)cc21.Cc1ccc(Oc2cccc(C(C)(C)C)c2)nc1.Cc1nc(-c2cccc(C(C)(C)C)c2)cs1.Cn1ccc2c(C(C)(C)C)cccc21.
What is the InChIKey of 6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine?
The InChIKey is IPSHCKJZCGNOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.3C15H17NO.C14H17NS.C13H20N2O.C13H19NO.C13H15NO.C13H17N.C11H13NS.C10H12Cl2.C8H12N2/c1-12-8-9-15(17-11-12)18-14-7-5-6-13(10-14)16(2,3)4;1-15(2,3)12-6-8-13(9-7-12)17-14-5-4-10-16-11-14;1-15(2,3)12-7-9-13(10-8-12)17-14-6-4-5-11-16-14;1-15(2,3)12-9-10-14(16-11-12)17-13-7-5-4-6-8-13;1-10-15-13(9-16-10)11-6-5-7-12(8-11)14(2,3)4;1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-13(2,3)10-5-6-12-11(9-10)14(4)7-8-15-12;1-13(2,3)11-6-4-10(5-7-11)12-8-14-9-15-12;1-13(2,3)11-6-5-7-12-10(11)8-9-14(12)4;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-10(2,3)8-6-7(11)4-5-9(8)12;1-8(2,3)7-6-9-4-5-10-7/h5-11H,1-4H3;3*4-11H,1-3H3;5-9H,1-4H3;4-5,10H,6-9H2,1-3H3;5-6,9H,7-8H2,1-4H3;4-9H,1-3H3;5-9H,1-4H3;4-7H,1-3H3;4-6H,1-3H3;4-6H,1-3H3.
What are the key properties of 6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine?
6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine has a molecular weight of 2499.40 g/mol, XLogP of 43.21, 11 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,4-dichlorobenzene;6-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindole;2-(3-tert-butylphenoxy)-5-methylpyridine;2-(4-tert-butylphenoxy)pyridine;3-(4-tert-butylphenoxy)pyridine;5-tert-butyl-2-phenoxypyridine;4-(3-tert-butylphenyl)-2-methyl-1,3-thiazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine is sourced from PubChem (CID 158769774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).