4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole

C81H155N15O2S — CID 158579553

IUPAC4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole
SMILESCC.CC.CC.CC.CC.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1nc[nH]c1C(C)C.CC(C)c1nonc1C(C)C.CC(C)c1nsnc1C(C)C.Cc1noc(C(C)C)c1C(C)C
InChIInChI=1S/C10H17NO.5C9H16N2.C8H14N2O.C8H14N2S.5C2H6/c1-6(2)9-8(5)11-12-10(9)7(3)4;1-6(2)8-9(7(3)4)11-5-10-8;4*1-6(2)8-5-10-11-9(8)7(3)4;2*1-5(2)7-8(6(3)4)10-11-9-7;5*1-2/h6-7H,1-5H3;5*5-7H,1-4H3,(H,10,11);2*5-6H,1-4H3;5*1-2H3
InChIKeyHTBUAJFUTQEAFR-UHFFFAOYSA-N
MW1403.30 g/mol
LogP26.74
Rot. Bonds16

About 4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole

4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole (PubChem CID 158579553) has the molecular formula C81H155N15O2S and a molecular weight of 1403.30 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole
PubChem CID158579553
Molecular FormulaC81H155N15O2S
Molecular Weight1403.30 g/mol
Exact Mass1402.22
IUPAC Name4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole
SMILESCC.CC.CC.CC.CC.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1nc[nH]c1C(C)C.CC(C)c1nonc1C(C)C.CC(C)c1nsnc1C(C)C.Cc1noc(C(C)C)c1C(C)C
InChIInChI=1S/C10H17NO.5C9H16N2.C8H14N2O.C8H14N2S.5C2H6/c1-6(2)9-8(5)11-12-10(9)7(3)4;1-6(2)8-9(7(3)4)11-5-10-8;4*1-6(2)8-5-10-11-9(8)7(3)4;2*1-5(2)7-8(6(3)4)10-11-9-7;5*1-2/h6-7H,1-5H3;5*5-7H,1-4H3,(H,10,11);2*5-6H,1-4H3;5*1-2H3
InChIKeyHTBUAJFUTQEAFR-UHFFFAOYSA-N
XLogP26.74
TPSA234.13 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001403.30
LogP ≤ 526.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole with MolForge

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Related Compounds

4-tert-butyl-1,5-dimethylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyl-1-methyltriazole
CID 157797012
4-tert-butyl-1,5-dimethylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyl-1-methyltriazole;methane
CID 157837935
4,5-di(propan-2-yl)-1H-imidazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
CID 159613528
4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
CID 160616292
1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole
CID 160854393
3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;1,4-dimethyl-5-propan-2-ylimidazole;2,5-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;1-ethyl-3,5-dimethyl-4-propan-2-ylpyrazole;1,3,5-trimethyl-4-propan-2-ylpyrazole
CID 167650340
5-methyl-4-propan-2-yl-1H-imidazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yltriazole;5-propan-2-yl-1H-1,2,4-triazole
CID 167711382
5-[(3,5-dimethyl-4-isoxazolyl)methyl]-7-(1-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 165427655

Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole?
The IUPAC name of 4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole (CID 158579553) is 4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole.
What is the SMILES notation for 4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole?
The canonical SMILES for 4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole is CC.CC.CC.CC.CC.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1nc[nH]c1C(C)C.CC(C)c1nonc1C(C)C.CC(C)c1nsnc1C(C)C.Cc1noc(C(C)C)c1C(C)C.
What is the InChIKey of 4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole?
The InChIKey is HTBUAJFUTQEAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.5C9H16N2.C8H14N2O.C8H14N2S.5C2H6/c1-6(2)9-8(5)11-12-10(9)7(3)4;1-6(2)8-9(7(3)4)11-5-10-8;4*1-6(2)8-5-10-11-9(8)7(3)4;2*1-5(2)7-8(6(3)4)10-11-9-7;5*1-2/h6-7H,1-5H3;5*5-7H,1-4H3,(H,10,11);2*5-6H,1-4H3;5*1-2H3.
What are the key properties of 4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole?
4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole has a molecular weight of 1403.30 g/mol, XLogP of 26.74, 16 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)-1H-imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;tetrakis(4,5-di(propan-2-yl)-1H-pyrazole);3,4-di(propan-2-yl)-1,2,5-thiadiazole;ethane;3-methyl-4,5-di(propan-2-yl)-1,2-oxazole is sourced from PubChem (CID 158579553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).