ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole)

C72H141N15O3 — CID 158841613

IUPACethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncco1
InChIInChI=1S/6C6H10N2.3C6H9NO.9C2H6/c2*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;2*1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;9*1-2/h6*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;9*1-2H3
InChIKeyIYHVNQVLOLJVKU-UHFFFAOYSA-N
MW1265.02 g/mol
LogP23.83
Rot. Bonds9

About ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole)

ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole) (PubChem CID 158841613) has the molecular formula C72H141N15O3 and a molecular weight of 1265.02 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole).

Molecular Properties

Compound Nameethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole)
PubChem CID158841613
Molecular FormulaC72H141N15O3
Molecular Weight1265.02 g/mol
Exact Mass1264.13
IUPAC Nameethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncco1
InChIInChI=1S/6C6H10N2.3C6H9NO.9C2H6/c2*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;2*1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;9*1-2/h6*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;9*1-2H3
InChIKeyIYHVNQVLOLJVKU-UHFFFAOYSA-N
XLogP23.83
TPSA250.17 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001265.02
LogP ≤ 523.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole) with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-2,3-dihydropyran-6-one;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-3-ethynyl-1-methylpyrazole;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;4-tert-butyl-5-ethynyl-1H-pyrazole
CID 157068312
ethane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-3H-pyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
CID 157159026
5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium
CID 157242718
5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole)
CID 157310136
2-tert-butyl-2,3-dihydropyran-6-one;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1-methylimidazole;4-tert-butyl-3-ethynyl-1-methylpyrazole;5-tert-butyl-3-ethynyl-1-methylpyrazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;4-tert-butyl-5-ethynyl-1H-pyrazole;5-tert-butyl-3-ethynyl-1,2-thiazole
CID 157421801
2-Tert-butyl-5-methyl-1,3,4-oxadiazole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;ethane;4-methyl-1,3-oxazole
CID 157440026
bis(2,3-dimethylfuran);bis(2,4-dimethylfuran);2,5-dimethylfuran;3,4-dimethylfuran;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;bis(3,5-dimethyl-1H-pyrazole);tris(4,5-dimethyl-1H-pyrazole);bis(2,5-dimethyltetrazole);3,4-dimethyl-1,2,4-triazole;1,3-dimethyl-1,2,4-triazol-4-ium-4-amine
CID 157480726
5-tert-butyl-2-ethenyl-1H-imidazole;4-tert-butyl-3-ethenyl-1-methylpyrazole;5-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;4-tert-butyl-5-ethenyl-1H-pyrazole;5-tert-butyl-3-ethenyl-1H-pyrazole;4-tert-butyl-2H-1,3-thiazol-2-ide;4-tert-butyl-3H-1,2-thiazol-3-ide;5-tert-butyl-2H-1,3-thiazol-2-ide;5-tert-butyl-3H-1,2-thiazol-3-ide;rhenium
CID 157541162
5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;3-tert-butyl-5-ethynyl-2H-pyrrole;bis(4-tert-butyl-5-ethynyl-2H-pyrrole);5-tert-butyl-2-ethynyl-3H-pyrrole
CID 157547643
1-tert-butyl-2,3-dihydropyridin-6-one;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;3-tert-butyl-5-ethynyl-1H-pyrazole;3-tert-butyl-5-ethynyl-2H-pyrrole;bis(4-tert-butyl-5-ethynyl-2H-pyrrole);5-tert-butyl-2-ethynyl-3H-pyrrole;2-propan-2-yl-2,3-dihydropyran-6-one
CID 157644809
1-tert-butyl-2,5-dihydropyridin-6-one;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-3-ethynyl-1,2-oxazole;3-tert-butyl-5-ethynyl-1H-pyrazole;3-tert-butyl-5-ethynyl-2H-pyrrole;bis(4-tert-butyl-5-ethynyl-2H-pyrrole);5-tert-butyl-2-ethynyl-3H-pyrrole;2-propan-2-yl-2,3-dihydropyran-6-one
CID 157709936
2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 157757038

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole)?
The IUPAC name of ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole) (CID 158841613) is ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole).
What is the SMILES notation for ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole)?
The canonical SMILES for ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.
What is the InChIKey of ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole)?
The InChIKey is IYHVNQVLOLJVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H10N2.3C6H9NO.9C2H6/c2*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;2*1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;9*1-2/h6*3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;9*1-2H3.
What are the key properties of ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole)?
ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole) has a molecular weight of 1265.02 g/mol, XLogP of 23.83, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole) is sourced from PubChem (CID 158841613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).