methane;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;tris(2-propan-2-yl-1,3-oxazole);2-propan-2-yl-3H-pyrrole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole

C92H147N15O5S2 — CID 158918789

About methane;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;tris(2-propan-2-yl-1,3-oxazole);2-propan-2-yl-3H-pyrrole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole

methane;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;tris(2-propan-2-yl-1,3-oxazole);2-propan-2-yl-3H-pyrrole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole (PubChem CID 158918789) has the molecular formula C92H147N15O5S2 and a molecular weight of 1607.42 g/mol. Its IUPAC name is methane;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;tris(2-propan-2-yl-1,3-oxazole);2-propan-2-yl-3H-pyrrole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: methane;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;tris(2-propan-2-yl-1,3-oxazole);2-propan-2-yl-3H-pyrrole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole
• PubChem CID: 158918789
• Molecular Formula: C92H147N15O5S2
• Molecular Weight: 1607.42 g/mol
• Exact Mass: 1606.12
• IUPAC Name: methane;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;tris(2-propan-2-yl-1,3-oxazole);2-propan-2-yl-3H-pyrrole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole
• SMILES: C.C.CC(C)C1=CCC=N1.CC(C)C1=CCN=C1.CC(C)C1=NC=CC1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)n1cncn1
• InChI: InChI=1S/5C7H11N.2C7H10O.C6H10N2.3C6H9NO.2C6H9NS.C5H9N3.2CH4/c1-6(2)7-3-4-8-5-7;6*1-6(2)7-4-3-5-8-7;6*1-5(2)6-7-3-4-8-6;1-5(2)8-4-6-3-7-8;;/h3,5-6H,4H2,1-2H3;4-6H,3H2,1-2H3;3,5-6H,4H2,1-2H3;2*3-4,6H,5H2,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;2*1H4
• InChIKey: JHOMPEDAWMLZMD-UHFFFAOYSA-N
• XLogP: 27.36
• TPSA: 251.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1607.42
LogP ≤ 5	27.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of methane;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;tris(2-propan-2-yl-1,3-oxazole);2-propan-2-yl-3H-pyrrole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole (CID 158918789) is methane;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;tris(2-propan-2-yl-1,3-oxazole);2-propan-2-yl-3H-pyrrole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole.

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

The canonical SMILES for methane;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;tris(2-propan-2-yl-1,3-oxazole);2-propan-2-yl-3H-pyrrole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole is C.C.CC(C)C1=CCC=N1.CC(C)C1=CCN=C1.CC(C)C1=NC=CC1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)n1cncn1.

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

The InChIKey is JHOMPEDAWMLZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/5C7H11N.2C7H10O.C6H10N2.3C6H9NO.2C6H9NS.C5H9N3.2CH4/c1-6(2)7-3-4-8-5-7;6*1-6(2)7-4-3-5-8-7;6*1-5(2)6-7-3-4-8-6;1-5(2)8-4-6-3-7-8;;/h3,5-6H,4H2,1-2H3;4-6H,3H2,1-2H3;3,5-6H,4H2,1-2H3;2*3-4,6H,5H2,1-2H3;2*3-6H,1-2H3;3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;2*1H4.

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

methane;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;tris(2-propan-2-yl-1,3-oxazole);2-propan-2-yl-3H-pyrrole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole has a molecular weight of 1607.42 g/mol, XLogP of 27.36, 14 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for methane;bis(2-propan-2-ylfuran);2-propan-2-yl-1H-imidazole;tris(2-propan-2-yl-1,3-oxazole);2-propan-2-yl-3H-pyrrole;4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);5-propan-2-yl-3H-pyrrole;bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 158918789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).