2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole

C61H97N19O2 — CID 161003538

IUPAC2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1
InChIInChI=1S/2C8H11N.4C6H10N2.2C6H9NO.C5H9N3.C4H8N4/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-4(2)5-6-3-7-8-5;1-3(2)4-5-7-8-6-4/h2*3-7H,1-2H3;4*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);3H,1-2H3,(H,5,6,7,8)
InChIKeyTWEWGLQUQKEXQY-UHFFFAOYSA-N
MW1128.58 g/mol
LogP15.39
Rot. Bonds10

About 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole

2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 161003538) has the molecular formula C61H97N19O2 and a molecular weight of 1128.58 g/mol. Its IUPAC name is 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID161003538
Molecular FormulaC61H97N19O2
Molecular Weight1128.58 g/mol
Exact Mass1127.81
IUPAC Name2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1
InChIInChI=1S/2C8H11N.4C6H10N2.2C6H9NO.C5H9N3.C4H8N4/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-4(2)5-6-3-7-8-5;1-3(2)4-5-7-8-6-4/h2*3-7H,1-2H3;4*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);3H,1-2H3,(H,5,6,7,8)
InChIKeyTWEWGLQUQKEXQY-UHFFFAOYSA-N
XLogP15.39
TPSA288.59 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001128.58
LogP ≤ 515.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole with MolForge

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Related Compounds

1,2-ditert-butylcyclopenta-1,3-diene;4,5-ditert-butyl-1H-imidazole;bis(4,5-ditert-butyl-1,3-oxazole);2,3-ditert-butyl-1H-pyrrole;3,4-ditert-butyl-2H-pyrrole;3,4-ditert-butyl-1,2,5-thiadiazole;methane
CID 157159563
2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)
CID 157205327
1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine);2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-3H-pyrrole;bis(4,5-di(propan-2-yl)triazine);bis(5,6-di(propan-2-yl)-1,2,4-triazine);ethane
CID 157360383
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole
CID 157740950
2-methylpropane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine
CID 157743137
2,4-Dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157904407
bis(1,4-dimethyl-2-propan-2-ylimidazole);bis(1,5-dimethyl-2-propan-2-ylimidazole);1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylpyrrole;bis(1,3-dimethyl-2-propan-2-ylpyrrole);bis(1,3-dimethyl-4-propan-2-ylpyrrole);bis(1-methyl-2-propan-2-ylimidazole);tetrakis(5-methyl-2-propan-2-yl-1H-imidazole);5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1H-imidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,3,5-trimethyl-2-propan-2-ylpyrrole
CID 158079348
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole
CID 158360371
3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-1,3-oxazol-2-amine;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridazin-3-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine
CID 158546153
benzene;2,2-dimethylpropane;ethane;furan;1H-imidazole;octakis(2-methylpropane);1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine
CID 158601926
1H-imidazole;pentakis(2-methylpropane);1,3-oxazole;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole;1H-pyrazole;pyridine;2H-triazole
CID 158611019
1H-imidazole;hexakis(2-methylpropane);1,3-oxazole;5-propan-2-yl-2H-tetrazole;1H-pyrazole;pyridine;1H-1,2,4-triazole;2H-triazole
CID 158696850

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole (CID 161003538) is 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)c1cccnc1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1.
What is the InChIKey of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is TWEWGLQUQKEXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11N.4C6H10N2.2C6H9NO.C5H9N3.C4H8N4/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-4(2)5-6-3-7-8-5;1-3(2)4-5-7-8-6-4/h2*3-7H,1-2H3;4*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);3H,1-2H3,(H,5,6,7,8).
What are the key properties of 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole?
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 1128.58 g/mol, XLogP of 15.39, 10 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 161003538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).