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

C92H182N10O2S2 — CID 157493914

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

methane;2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole) (PubChem CID 157493914) has the molecular formula C92H182N10O2S2 and a molecular weight of 1524.67 g/mol. Its IUPAC name is methane;2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole).

Molecular Properties

• Compound Name: methane;2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole)
• PubChem CID: 157493914
• Molecular Formula: C92H182N10O2S2
• Molecular Weight: 1524.67 g/mol
• Exact Mass: 1523.39
• IUPAC Name: methane;2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole)
• SMILES: C.C.C.C.C.C.C.C.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1nc(C(C)C)c(C(C)C)[nH]1.CC(C)c1nc(C(C)C)c(C(C)C)o1.CC(C)c1nc(C(C)C)c(C(C)C)o1.CC(C)c1nc(C(C)C)c(C(C)C)s1.CC(C)c1nc(C(C)C)c(C(C)C)s1
• InChI: InChI=1S/3C12H22N2.2C12H21NO.2C12H21NS.8CH4/c2*1-8(2)11-7-14(10(5)6)13-12(11)9(3)4;5*1-7(2)10-11(8(3)4)14-12(13-10)9(5)6;;;;;;;;/h2*7-10H,1-6H3;7-9H,1-6H3,(H,13,14);4*7-9H,1-6H3;8*1H4
• InChIKey: BXPFOTXJMXVWAL-UHFFFAOYSA-N
• XLogP: 33.41
• TPSA: 142.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1524.67
LogP ≤ 5	33.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of methane;2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole)?

The IUPAC name of methane;2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole) (CID 157493914) is methane;2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole).

What is the SMILES notation for methane;2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole)?

The canonical SMILES for methane;2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole) is C.C.C.C.C.C.C.C.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1cn(C(C)C)nc1C(C)C.CC(C)c1nc(C(C)C)c(C(C)C)[nH]1.CC(C)c1nc(C(C)C)c(C(C)C)o1.CC(C)c1nc(C(C)C)c(C(C)C)o1.CC(C)c1nc(C(C)C)c(C(C)C)s1.CC(C)c1nc(C(C)C)c(C(C)C)s1.

What is the InChIKey of methane;2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole)?

The InChIKey is BXPFOTXJMXVWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H22N2.2C12H21NO.2C12H21NS.8CH4/c2*1-8(2)11-7-14(10(5)6)13-12(11)9(3)4;5*1-7(2)10-11(8(3)4)14-12(13-10)9(5)6;;;;;;;;/h2*7-10H,1-6H3;7-9H,1-6H3,(H,13,14);4*7-9H,1-6H3;8*1H4.

What are the key properties of methane;2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole)?

methane;2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole) has a molecular weight of 1524.67 g/mol, XLogP of 33.41, 21 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole) is sourced from PubChem (CID 157493914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).