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

C91H172N16O3S — CID 160616292

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;5-methyl-3,4-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.Cc1onc(C(C)C)c1C(C)C
InChIInChI=1S/2C10H17NO.5C9H16N2.C8H14N2O.C8H14N2S.5C2H6/c1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(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/h2*6-7H,1-5H3;5*5-7H,1-4H3,(H,10,11);2*5-6H,1-4H3;5*1-2H3
InChIKeyRGDDPRUAESWBLJ-UHFFFAOYSA-N
MW1570.55 g/mol
LogP29.97
Rot. Bonds18

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;5-methyl-3,4-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;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole (PubChem CID 160616292) has the molecular formula C91H172N16O3S and a molecular weight of 1570.55 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;5-methyl-3,4-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;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole
PubChem CID160616292
Molecular FormulaC91H172N16O3S
Molecular Weight1570.55 g/mol
Exact Mass1569.35
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;5-methyl-3,4-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.Cc1onc(C(C)C)c1C(C)C
InChIInChI=1S/2C10H17NO.5C9H16N2.C8H14N2O.C8H14N2S.5C2H6/c1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(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/h2*6-7H,1-5H3;5*5-7H,1-4H3,(H,10,11);2*5-6H,1-4H3;5*1-2H3
InChIKeyRGDDPRUAESWBLJ-UHFFFAOYSA-N
XLogP29.97
TPSA260.16 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001570.55
LogP ≤ 529.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

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;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole with MolForge

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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;5-methyl-3,4-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;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole (CID 160616292) 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;5-methyl-3,4-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;5-methyl-3,4-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;5-methyl-3,4-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.Cc1onc(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;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole?
The InChIKey is RGDDPRUAESWBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17NO.5C9H16N2.C8H14N2O.C8H14N2S.5C2H6/c1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(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/h2*6-7H,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;5-methyl-3,4-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;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole has a molecular weight of 1570.55 g/mol, XLogP of 29.97, 18 rotatable bonds, 5 hydrogen bond donors, and 15 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;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole is sourced from PubChem (CID 160616292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).