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

C71H111N11O5S2 — CID 157485303

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

methane;bis(2-propan-2-ylfuran);tris(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole (PubChem CID 157485303) has the molecular formula C71H111N11O5S2 and a molecular weight of 1262.87 g/mol. Its IUPAC name is methane;bis(2-propan-2-ylfuran);tris(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-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);tris(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole
• PubChem CID: 157485303
• Molecular Formula: C71H111N11O5S2
• Molecular Weight: 1262.87 g/mol
• Exact Mass: 1261.82
• IUPAC Name: methane;bis(2-propan-2-ylfuran);tris(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole
• SMILES: C.CC(C)C1=CCN=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)c1ccco1.CC(C)c1ccco1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)n1cncn1
• InChI: InChI=1S/3C7H11N.2C7H10O.3C6H9NO.2C6H9NS.C5H9N3.CH4/c1-6(2)7-3-4-8-5-7;4*1-6(2)7-4-3-5-8-7;5*1-5(2)6-7-3-4-8-6;1-5(2)8-4-6-3-7-8;/h3,5-6H,4H2,1-2H3;2*3-4,6H,5H2,1-2H3;2*3-6H,1-2H3;6*3-5H,1-2H3;1H4
• InChIKey: BWQKCNRPJGKTDO-UHFFFAOYSA-N
• XLogP: 21.19
• TPSA: 197.94 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1262.87
LogP ≤ 5	21.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of methane;bis(2-propan-2-ylfuran);tris(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-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);tris(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole (CID 157485303) is methane;bis(2-propan-2-ylfuran);tris(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-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);tris(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-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);tris(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole is C.CC(C)C1=CCN=C1.CC(C)C1=NCC=C1.CC(C)C1=NCC=C1.CC(C)c1ccco1.CC(C)c1ccco1.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);tris(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole?

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

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

methane;bis(2-propan-2-ylfuran);tris(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole has a molecular weight of 1262.87 g/mol, XLogP of 21.19, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for methane;bis(2-propan-2-ylfuran);tris(2-propan-2-yl-1,3-oxazole);4-propan-2-yl-2H-pyrrole;bis(5-propan-2-yl-2H-pyrrole);bis(2-propan-2-yl-1,3-thiazole);1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 157485303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).