2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole

C173H261BrF3N23O8S2 — CID 158568569

IUPAC2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1cccnc1.CC(C)(C)c1nc(-c2ccccc2)no1.CC(C)(C)c1nc(-c2cccnc2)no1.CC(C)(C)c1nc(COc2ccccc2)no1.CC(C)(C)c1ncc(-c2ccccc2)s1.CC(C)(C)c1ncc(N2CCOCC2)s1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1nc(-c2ccncc2)no1.CCc1ccc(C(C)(C)C)cn1.CCc1nc(C)ccc1C(C)C.COc1ccc(C(C)C)cn1.Cc1cc(C(C)C)cnc1Br.Cc1ccc(-c2cnc(C(C)(C)C)o2)cn1.Cc1ccc(C(C)C)cn1
InChIInChI=1S/C13H16N2O2.C13H16N2O.C13H15NS.C12H14N2O.C11H13N3O.C11H18N2OS.3C11H17N.C10H12F3N.C10H11N3O.C9H12BrN.C9H13NO.2C9H13N.11CH4/c1-13(2,3)12-14-11(15-17-12)9-16-10-7-5-4-6-8-10;1-9-5-6-10(7-14-9)11-8-15-12(16-11)13(2,3)4;1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10;1-12(2,3)11-13-10(14-15-11)9-7-5-4-6-8-9;1-11(2,3)10-13-9(14-15-10)8-5-4-6-12-7-8;1-11(2,3)10-12-8-9(15-10)13-4-6-14-7-5-13;1-8(2)10-5-6-11(9(3)4)12-7-10;1-5-10-7-6-9(8-12-10)11(2,3)4;1-5-11-10(8(2)3)7-6-9(4)12-11;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-7(2)10-12-9(13-14-10)8-3-5-11-6-4-8;1-6(2)8-4-7(3)9(10)11-5-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-5-4-8(3)10-6-9;1-9(2,3)8-5-4-6-10-7-8;;;;;;;;;;;/h4-8H,9H2,1-3H3;5-8H,1-4H3;4-9H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;5-9H,1-4H3;2*6-8H,5H2,1-4H3;4-6H,1-3H3;3-7H,1-2H3;4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;11*1H4
InChIKeyHRUHFNBSUGPTRR-UHFFFAOYSA-N
MW2992.18 g/mol
LogP50.51
Rot. Bonds19

About 2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole

2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 158568569) has the molecular formula C173H261BrF3N23O8S2 and a molecular weight of 2992.18 g/mol. Its IUPAC name is 2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID158568569
Molecular FormulaC173H261BrF3N23O8S2
Molecular Weight2992.18 g/mol
Exact Mass2988.93
IUPAC Name2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESC.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1cccnc1.CC(C)(C)c1nc(-c2ccccc2)no1.CC(C)(C)c1nc(-c2cccnc2)no1.CC(C)(C)c1nc(COc2ccccc2)no1.CC(C)(C)c1ncc(-c2ccccc2)s1.CC(C)(C)c1ncc(N2CCOCC2)s1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1nc(-c2ccncc2)no1.CCc1ccc(C(C)(C)C)cn1.CCc1nc(C)ccc1C(C)C.COc1ccc(C(C)C)cn1.Cc1cc(C(C)C)cnc1Br.Cc1ccc(-c2cnc(C(C)(C)C)o2)cn1.Cc1ccc(C(C)C)cn1
InChIInChI=1S/C13H16N2O2.C13H16N2O.C13H15NS.C12H14N2O.C11H13N3O.C11H18N2OS.3C11H17N.C10H12F3N.C10H11N3O.C9H12BrN.C9H13NO.2C9H13N.11CH4/c1-13(2,3)12-14-11(15-17-12)9-16-10-7-5-4-6-8-10;1-9-5-6-10(7-14-9)11-8-15-12(16-11)13(2,3)4;1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10;1-12(2,3)11-13-10(14-15-11)9-7-5-4-6-8-9;1-11(2,3)10-13-9(14-15-10)8-5-4-6-12-7-8;1-11(2,3)10-12-8-9(15-10)13-4-6-14-7-5-13;1-8(2)10-5-6-11(9(3)4)12-7-10;1-5-10-7-6-9(8-12-10)11(2,3)4;1-5-11-10(8(2)3)7-6-9(4)12-11;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-7(2)10-12-9(13-14-10)8-3-5-11-6-4-8;1-6(2)8-4-7(3)9(10)11-5-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-5-4-8(3)10-6-9;1-9(2,3)8-5-4-6-10-7-8;;;;;;;;;;;/h4-8H,9H2,1-3H3;5-8H,1-4H3;4-9H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;5-9H,1-4H3;2*6-8H,5H2,1-4H3;4-6H,1-3H3;3-7H,1-2H3;4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;11*1H4
InChIKeyHRUHFNBSUGPTRR-UHFFFAOYSA-N
XLogP50.51
TPSA380.21 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds19
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002992.18
LogP ≤ 550.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole 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

6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166
6-[4-(1,1-difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;methyl (E)-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]prop-2-enoate;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160204499
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate
CID 157068208
tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate;4,5,6-trimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(5-phenyl-1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;4,5,6-trimethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-b]pyridin-3-amine
CID 160649901
cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;bis(2-propan-2-ylfuran);3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-yl-4H-pyrazole;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-3H-pyrrole;3-propan-2-yl-3H-pyrrole;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 161674251

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole (CID 158568569) is 2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole is C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1cccnc1.CC(C)(C)c1nc(-c2ccccc2)no1.CC(C)(C)c1nc(-c2cccnc2)no1.CC(C)(C)c1nc(COc2ccccc2)no1.CC(C)(C)c1ncc(-c2ccccc2)s1.CC(C)(C)c1ncc(N2CCOCC2)s1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1nc(-c2ccncc2)no1.CCc1ccc(C(C)(C)C)cn1.CCc1nc(C)ccc1C(C)C.COc1ccc(C(C)C)cn1.Cc1cc(C(C)C)cnc1Br.Cc1ccc(-c2cnc(C(C)(C)C)o2)cn1.Cc1ccc(C(C)C)cn1.
What is the InChIKey of 2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is HRUHFNBSUGPTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.C13H16N2O.C13H15NS.C12H14N2O.C11H13N3O.C11H18N2OS.3C11H17N.C10H12F3N.C10H11N3O.C9H12BrN.C9H13NO.2C9H13N.11CH4/c1-13(2,3)12-14-11(15-17-12)9-16-10-7-5-4-6-8-10;1-9-5-6-10(7-14-9)11-8-15-12(16-11)13(2,3)4;1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10;1-12(2,3)11-13-10(14-15-11)9-7-5-4-6-8-9;1-11(2,3)10-13-9(14-15-10)8-5-4-6-12-7-8;1-11(2,3)10-12-8-9(15-10)13-4-6-14-7-5-13;1-8(2)10-5-6-11(9(3)4)12-7-10;1-5-10-7-6-9(8-12-10)11(2,3)4;1-5-11-10(8(2)3)7-6-9(4)12-11;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-7(2)10-12-9(13-14-10)8-3-5-11-6-4-8;1-6(2)8-4-7(3)9(10)11-5-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)9-5-4-8(3)10-6-9;1-9(2,3)8-5-4-6-10-7-8;;;;;;;;;;;/h4-8H,9H2,1-3H3;5-8H,1-4H3;4-9H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;5-9H,1-4H3;2*6-8H,5H2,1-4H3;4-6H,1-3H3;3-7H,1-2H3;4-6H,1-3H3;4-7H,1-3H3;2*4-7H,1-3H3;11*1H4.
What are the key properties of 2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 2992.18 g/mol, XLogP of 50.51, 19 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-5-propan-2-ylpyridine;5-tert-butyl-2-ethylpyridine;2-tert-butyl-5-(6-methyl-3-pyridinyl)-1,3-oxazole;5-tert-butyl-3-(phenoxymethyl)-1,2,4-oxadiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-5-phenyl-1,3-thiazole;3-tert-butylpyridine;5-tert-butyl-3-pyridin-3-yl-1,2,4-oxadiazole;4-(2-tert-butyl-1,3-thiazol-5-yl)morpholine;5-tert-butyl-2-(trifluoromethyl)pyridine;2,5-di(propan-2-yl)pyridine;2-ethyl-6-methyl-3-propan-2-ylpyridine;methane;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 158568569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).