bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole

C156H279N15O9 — CID 158685152

About bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole

bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole (PubChem CID 158685152) has the molecular formula C156H279N15O9 and a molecular weight of 2509.04 g/mol. Its IUPAC name is bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole
• PubChem CID: 158685152
• Molecular Formula: C156H279N15O9
• Molecular Weight: 2509.04 g/mol
• Exact Mass: 2507.18
• IUPAC Name: bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole
• SMILES: CC(C)(C)Cc1cc(CC(C)(C)C)on1.CC(C)(C)Cc1cc(CC(C)(C)C)on1.CC(C)(C)Cc1ccc(CC(C)(C)C)o1.CC(C)(C)Cc1cn(CC(C)(C)C)nn1.CC(C)(C)Cc1cnc(CC(C)(C)C)o1.CC(C)(C)Cc1cnc(CC(C)(C)C)o1.CC(C)(C)Cc1coc(CC(C)(C)C)c1.CC(C)(C)Cc1coc(CC(C)(C)C)c1.CC(C)(C)Cc1coc(CC(C)(C)C)n1.CC(C)(C)Cc1coc(CC(C)(C)C)n1.CC(C)(C)Cc1n[nH]c(CC(C)(C)C)n1.CC(C)(C)Cc1ncn(CC(C)(C)C)n1
• InChI: InChI=1S/3C14H24O.6C13H23NO.3C12H23N3/c2*1-13(2,3)8-11-7-12(15-10-11)9-14(4,5)6;1-13(2,3)9-11-7-8-12(15-11)10-14(4,5)6;2*1-12(2,3)7-10-9-15-11(14-10)8-13(4,5)6;2*1-12(2,3)7-10-9-14-11(15-10)8-13(4,5)6;2*1-12(2,3)8-10-7-11(15-14-10)9-13(4,5)6;1-11(2,3)7-10-13-9-15(14-10)8-12(4,5)6;1-11(2,3)7-10-8-15(14-13-10)9-12(4,5)6;1-11(2,3)7-9-13-10(15-14-9)8-12(4,5)6/h2*7,10H,8-9H2,1-6H3;7-8H,9-10H2,1-6H3;4*9H,7-8H2,1-6H3;2*7H,8-9H2,1-6H3;9H,7-8H2,1-6H3;8H,7,9H2,1-6H3;7-8H2,1-6H3,(H,13,14,15)
• InChIKey: IFQKUCPIGSMJCY-UHFFFAOYSA-N
• XLogP: 45.29
• TPSA: 298.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2509.04
LogP ≤ 5	45.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole?

The IUPAC name of bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole (CID 158685152) is bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole.

What is the SMILES notation for bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole?

The canonical SMILES for bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole is CC(C)(C)Cc1cc(CC(C)(C)C)on1.CC(C)(C)Cc1cc(CC(C)(C)C)on1.CC(C)(C)Cc1ccc(CC(C)(C)C)o1.CC(C)(C)Cc1cn(CC(C)(C)C)nn1.CC(C)(C)Cc1cnc(CC(C)(C)C)o1.CC(C)(C)Cc1cnc(CC(C)(C)C)o1.CC(C)(C)Cc1coc(CC(C)(C)C)c1.CC(C)(C)Cc1coc(CC(C)(C)C)c1.CC(C)(C)Cc1coc(CC(C)(C)C)n1.CC(C)(C)Cc1coc(CC(C)(C)C)n1.CC(C)(C)Cc1n[nH]c(CC(C)(C)C)n1.CC(C)(C)Cc1ncn(CC(C)(C)C)n1.

What is the InChIKey of bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole?

The InChIKey is IFQKUCPIGSMJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H24O.6C13H23NO.3C12H23N3/c2*1-13(2,3)8-11-7-12(15-10-11)9-14(4,5)6;1-13(2,3)9-11-7-8-12(15-11)10-14(4,5)6;2*1-12(2,3)7-10-9-15-11(14-10)8-13(4,5)6;2*1-12(2,3)7-10-9-14-11(15-10)8-13(4,5)6;2*1-12(2,3)8-10-7-11(15-14-10)9-13(4,5)6;1-11(2,3)7-10-13-9-15(14-10)8-12(4,5)6;1-11(2,3)7-10-8-15(14-13-10)9-12(4,5)6;1-11(2,3)7-9-13-10(15-14-9)8-12(4,5)6/h2*7,10H,8-9H2,1-6H3;7-8H,9-10H2,1-6H3;4*9H,7-8H2,1-6H3;2*7H,8-9H2,1-6H3;9H,7-8H2,1-6H3;8H,7,9H2,1-6H3;7-8H2,1-6H3,(H,13,14,15).

What are the key properties of bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole?

bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole has a molecular weight of 2509.04 g/mol, XLogP of 45.29, 24 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,4-bis(2,2-dimethylpropyl)furan);2,5-bis(2,2-dimethylpropyl)furan;bis(2,4-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(2,5-bis(2,2-dimethylpropyl)-1,3-oxazole);bis(3,5-bis(2,2-dimethylpropyl)-1,2-oxazole);1,3-bis(2,2-dimethylpropyl)-1,2,4-triazole;1,4-bis(2,2-dimethylpropyl)triazole;3,5-bis(2,2-dimethylpropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 158685152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).