3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine

C59H86N10OS — CID 158398925

IUPAC3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine
SMILESCC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1cnc[nH]1.Cc1[nH]c2ccccc2c1C(C)C.Cc1[nH]c2ncccc2c1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C12H15N.C11H14N2.C8H13NO.C8H13NS.C8H11N.2C6H10N2/c1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-7(2)10-8(3)13-11-9(10)5-4-6-12-11;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-4-3-5-9-6-8;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6/h4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*5H,1-4H3;3-7H,1-2H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyGXWATSJZXZETNM-UHFFFAOYSA-N
MW983.47 g/mol
LogP17.16
Rot. Bonds7

About 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine (PubChem CID 158398925) has the molecular formula C59H86N10OS and a molecular weight of 983.47 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine
PubChem CID158398925
Molecular FormulaC59H86N10OS
Molecular Weight983.47 g/mol
Exact Mass982.67
IUPAC Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine
SMILESCC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1cnc[nH]1.Cc1[nH]c2ccccc2c1C(C)C.Cc1[nH]c2ncccc2c1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C12H15N.C11H14N2.C8H13NO.C8H13NS.C8H11N.2C6H10N2/c1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-7(2)10-8(3)13-11-9(10)5-4-6-12-11;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-4-3-5-9-6-8;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6/h4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*5H,1-4H3;3-7H,1-2H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyGXWATSJZXZETNM-UHFFFAOYSA-N
XLogP17.16
TPSA153.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.47
LogP ≤ 517.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine with MolForge

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Related Compounds

4,5-Dimethyl-2-phenyltriazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;2,3-dimethylpyridine;methane;5-methyl-4-(trifluoromethyl)pyrimidine;3,4,5-trimethyl-1,2-oxazole;2,6,7-trimethylpyrazolo[1,5-a]pyrimidine;2,3,4-trimethylpyridine;2,3,6-trimethyl-4-(trifluoromethyl)pyridine
CID 159533133
3-[6-(1H-imidazol-2-yl)-5-(1H-pyrazol-3-yl)-1-quinolin-2-yl-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)isoquinolin-7-yl]-1,2-oxazole
CID 141008274
3-[6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-pyridin-2-yl-4-quinolin-2-yl-4-thiophen-2-yl-5-(2H-triazol-4-yl)cyclohexa-1,5-dien-1-yl]-1,2-oxazole
CID 141028379
2-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157166609
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;bis(3-propan-2-yl-1H-indole);3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine
CID 157211250
5,6-dihydro-4H-cyclopenta[d][1,2]oxazole;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;6,7-dihydro-5H-pyrrolo[2,1-b][1,3]thiazol-4-ium;6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;nonakis(2-methylpropane);5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4,5,6,7-tetrahydro-1H-indole;1,4,5,6-tetrahydropyrrolo[1,2-b]pyrazol-7-ium;5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 157219463
ethane;2-methyl-1H-benzimidazole;6-methyl-1H-benzimidazole;6-methyl-1H-indazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methylpyridine;5-methylpyrimidine;2-methyl-1,3,4-thiadiazole
CID 157271812
5-tert-butyl-1,4-dimethylpyrazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;2-tert-butyl-6-methylpyridine;2-tert-butylpyrazine;4-tert-butyl-1,3-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 157303965
3,5-dimethyl-4-[1-(1-methylpyrazol-4-yl)-3-phenylsulfanylpyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazole;3,5-dimethyl-4-(3-phenylsulfanyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole
CID 157412162
bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine
CID 157491025
1,2-Dimethylpyridin-1-ium;2,3-dimethyl-1,3,4-thiadiazol-3-ium;4,5-dimethyl-1,2,4-thiadiazol-4-ium;2,3-dimethyl-1,3-thiazol-3-ium;methane;1,2,3,4-tetramethylimidazol-1-ium;1,3,6-trimethyl-3,6-dihydropyridazin-1-ium;1,2,3-trimethylindazol-1-ium;2,3,5-trimethyl-1,2-oxazol-2-ium;3,4,5-trimethyl-1,2,4-thiadiazol-4-ium
CID 157869544
bis(2-methylpropane);5-propan-2-yl-1,2-dihydropyrazol-3-one;5-propan-2-yl-1H-imidazole;3-propan-2-yl-2H-indazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-yl-1H-pyrrole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole;pyrazine;pyridine
CID 158340044

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine (CID 158398925) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine is CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1cnc[nH]1.Cc1[nH]c2ccccc2c1C(C)C.Cc1[nH]c2ncccc2c1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1noc(C)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine?
The InChIKey is GXWATSJZXZETNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C11H14N2.C8H13NO.C8H13NS.C8H11N.2C6H10N2/c1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-7(2)10-8(3)13-11-9(10)5-4-6-12-11;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-7(2)8-4-3-5-9-6-8;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6/h4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13);2*5H,1-4H3;3-7H,1-2H3;2*3-5H,1-2H3,(H,7,8).
What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine?
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine has a molecular weight of 983.47 g/mol, XLogP of 17.16, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2-methyl-3-propan-2-yl-1H-indole;2-methyl-3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine is sourced from PubChem (CID 158398925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).