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

C91H119N11OS — CID 157211250

IUPAC3,5-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
SMILESCC(C)c1c[nH]c2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cccnc1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnn2ccccc12.CC(C)c1nn(C)c2ccccc12.Cc1[nH]c2ccccc2c1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1noc(C)c1C(C)C
InChIInChI=1S/2C12H15N.C11H14N2.2C11H13N.C10H12N2.C8H13NO.C8H13NS.C8H11N/c1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;2*1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-12-6-4-3-5-10(9)12;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/h4-9H,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;2*3-8,12H,1-2H3;3-8H,1-2H3;2*5H,1-4H3;3-7H,1-2H3
InChIKeyARXJUWGYDFHVPI-UHFFFAOYSA-N
MW1415.10 g/mol
LogP26.14
Rot. Bonds9

About 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

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 (PubChem CID 157211250) has the molecular formula C91H119N11OS and a molecular weight of 1415.10 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;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.

Molecular Properties

Compound Name3,5-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
PubChem CID157211250
Molecular FormulaC91H119N11OS
Molecular Weight1415.10 g/mol
Exact Mass1413.93
IUPAC Name3,5-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
SMILESCC(C)c1c[nH]c2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cccnc1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnn2ccccc12.CC(C)c1nn(C)c2ccccc12.Cc1[nH]c2ccccc2c1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1noc(C)c1C(C)C
InChIInChI=1S/2C12H15N.C11H14N2.2C11H13N.C10H12N2.C8H13NO.C8H13NS.C8H11N/c1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;2*1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-12-6-4-3-5-10(9)12;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/h4-9H,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;2*3-8,12H,1-2H3;3-8H,1-2H3;2*5H,1-4H3;3-7H,1-2H3
InChIKeyARXJUWGYDFHVPI-UHFFFAOYSA-N
XLogP26.14
TPSA139.23 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001415.10
LogP ≤ 526.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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;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 with MolForge

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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;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?
The IUPAC name of 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) is 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.
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;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?
The canonical SMILES for 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 is CC(C)c1c[nH]c2ccccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cccnc1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnn2ccccc12.CC(C)c1nn(C)c2ccccc12.Cc1[nH]c2ccccc2c1C(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;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?
The InChIKey is ARXJUWGYDFHVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H15N.C11H14N2.2C11H13N.C10H12N2.C8H13NO.C8H13NS.C8H11N/c1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;2*1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-12-6-4-3-5-10(9)12;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/h4-9H,1-3H3;4-8,13H,1-3H3;4-8H,1-3H3;2*3-8,12H,1-2H3;3-8H,1-2H3;2*5H,1-4H3;3-7H,1-2H3.
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;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?
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 has a molecular weight of 1415.10 g/mol, XLogP of 26.14, 9 rotatable bonds, 3 hydrogen bond donors, and 10 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;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 is sourced from PubChem (CID 157211250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).