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

C75H144N12O2 — CID 159613528

IUPAC4,5-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
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.Cc1noc(C(C)C)c1C(C)C.Cc1onc(C(C)C)c1C(C)C
InChIInChI=1S/2C10H17NO.5C9H16N2.5C2H6/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;5*1-2/h2*6-7H,1-5H3;5*5-7H,1-4H3,(H,10,11);5*1-2H3
InChIKeyMMZSDQUSJCKSSU-UHFFFAOYSA-N
MW1246.06 g/mol
LogP24.87
Rot. Bonds14

About 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

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 (PubChem CID 159613528) has the molecular formula C75H144N12O2 and a molecular weight of 1246.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,5-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
PubChem CID159613528
Molecular FormulaC75H144N12O2
Molecular Weight1246.06 g/mol
Exact Mass1245.15
IUPAC Name4,5-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
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.Cc1noc(C(C)C)c1C(C)C.Cc1onc(C(C)C)c1C(C)C
InChIInChI=1S/2C10H17NO.5C9H16N2.5C2H6/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;5*1-2/h2*6-7H,1-5H3;5*5-7H,1-4H3,(H,10,11);5*1-2H3
InChIKeyMMZSDQUSJCKSSU-UHFFFAOYSA-N
XLogP24.87
TPSA195.46 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001246.06
LogP ≤ 524.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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.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;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?
The InChIKey is MMZSDQUSJCKSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17NO.5C9H16N2.5C2H6/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;5*1-2/h2*6-7H,1-5H3;5*5-7H,1-4H3,(H,10,11);5*1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1246.06 g/mol, XLogP of 24.87, 14 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159613528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).