methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)

C78H138N12O4S2 — CID 157171930

About methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)

methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole) (PubChem CID 157171930) has the molecular formula C78H138N12O4S2 and a molecular weight of 1372.18 g/mol. Its IUPAC name is methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole).

Molecular Properties

• Compound Name: methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
• PubChem CID: 157171930
• Molecular Formula: C78H138N12O4S2
• Molecular Weight: 1372.18 g/mol
• Exact Mass: 1371.04
• IUPAC Name: methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
• SMILES: C.C.C.C.C.CC(C)C1=NCC=C1.CC(C)C1CCCC1=O.CC(C)C1CCOCC1.CC(C)c1ccc[nH]1.CC(C)c1ccn[nH]1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1
• InChI: InChI=1S/C8H16O.C8H14O.C7H10N2.2C7H11N.2C6H10N2.2C6H9NO.2C6H9NS.5CH4/c1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8(7)9;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;4*1-5(2)6-7-3-4-8-6;;;;;/h7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;5*1H4
• InChIKey: ANOKBCVICWROTQ-UHFFFAOYSA-N
• XLogP: 23.85
• TPSA: 215.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1372.18
LogP ≤ 5	23.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole) (CID 157171930) is methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole).

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

The canonical SMILES for methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole) is C.C.C.C.C.CC(C)C1=NCC=C1.CC(C)C1CCCC1=O.CC(C)C1CCOCC1.CC(C)c1ccc[nH]1.CC(C)c1ccn[nH]1.CC(C)c1cnccn1.CC(C)c1ncc[nH]1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.

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

The InChIKey is ANOKBCVICWROTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C8H14O.C7H10N2.2C7H11N.2C6H10N2.2C6H9NO.2C6H9NS.5CH4/c1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8(7)9;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;4*1-5(2)6-7-3-4-8-6;;;;;/h7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;3-4,6H,5H2,1-2H3;3-6,8H,1-2H3;2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;5*1H4.

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

methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole) has a molecular weight of 1372.18 g/mol, XLogP of 23.85, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole) is sourced from PubChem (CID 157171930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).