2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);tris(3,5-di(propan-2-yl)-1H-1,2,4-triazole)

C162H279N31O9S7 — CID 162029999

About 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);tris(3,5-di(propan-2-yl)-1H-1,2,4-triazole)

2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);tris(3,5-di(propan-2-yl)-1H-1,2,4-triazole) (PubChem CID 162029999) has the molecular formula C162H279N31O9S7 and a molecular weight of 3029.69 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);tris(3,5-di(propan-2-yl)-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);tris(3,5-di(propan-2-yl)-1H-1,2,4-triazole)
• PubChem CID: 162029999
• Molecular Formula: C162H279N31O9S7
• Molecular Weight: 3029.69 g/mol
• Exact Mass: 3027.04
• IUPAC Name: 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);tris(3,5-di(propan-2-yl)-1H-1,2,4-triazole)
• SMILES: CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1cc(C(C)C)sn1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1
• InChI: InChI=1S/6C9H15NO.4C9H15NS.3C8H15N3.3C8H14N2O.3C8H14N2S/c2*1-6(2)8-5-11-9(10-8)7(3)4;4*1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;3*1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7/h10*5-7H,1-4H3;3*5-6H,1-4H3,(H,9,10,11);6*5-6H,1-4H3
• InChIKey: YVWSTWHFLUHRKI-UHFFFAOYSA-N
• XLogP: 52.55
• TPSA: 526.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 44
• Rotatable Bonds: 38
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3029.69
LogP ≤ 5	52.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);tris(3,5-di(propan-2-yl)-1H-1,2,4-triazole)?

The IUPAC name of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);tris(3,5-di(propan-2-yl)-1H-1,2,4-triazole) (CID 162029999) is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);tris(3,5-di(propan-2-yl)-1H-1,2,4-triazole).

What is the SMILES notation for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);tris(3,5-di(propan-2-yl)-1H-1,2,4-triazole)?

The canonical SMILES for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);tris(3,5-di(propan-2-yl)-1H-1,2,4-triazole) is CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1cc(C(C)C)sn1.CC(C)c1cc(C(C)C)sn1.CC(C)c1coc(C(C)C)n1.CC(C)c1coc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1csc(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1n[nH]c(C(C)C)n1.CC(C)c1nnc(C(C)C)o1.CC(C)c1nnc(C(C)C)s1.CC(C)c1noc(C(C)C)n1.CC(C)c1noc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.CC(C)c1nsc(C(C)C)n1.

What is the InChIKey of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);tris(3,5-di(propan-2-yl)-1H-1,2,4-triazole)?

The InChIKey is YVWSTWHFLUHRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/6C9H15NO.4C9H15NS.3C8H15N3.3C8H14N2O.3C8H14N2S/c2*1-6(2)8-5-11-9(10-8)7(3)4;4*1-6(2)8-5-9(7(3)4)11-10-8;2*1-6(2)8-5-11-9(10-8)7(3)4;2*1-6(2)8-5-9(7(3)4)11-10-8;3*1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7;1-5(2)7-9-10-8(11-7)6(3)4;2*1-5(2)7-9-8(6(3)4)11-10-7/h10*5-7H,1-4H3;3*5-6H,1-4H3,(H,9,10,11);6*5-6H,1-4H3.

What are the key properties of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);tris(3,5-di(propan-2-yl)-1H-1,2,4-triazole)?

2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);tris(3,5-di(propan-2-yl)-1H-1,2,4-triazole) has a molecular weight of 3029.69 g/mol, XLogP of 52.55, 38 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;bis(3,5-di(propan-2-yl)-1,2,4-oxadiazole);bis(2,4-di(propan-2-yl)-1,3-oxazole);tetrakis(3,5-di(propan-2-yl)-1,2-oxazole);2,5-di(propan-2-yl)-1,3,4-thiadiazole;bis(3,5-di(propan-2-yl)-1,2,4-thiadiazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);bis(3,5-di(propan-2-yl)-1,2-thiazole);tris(3,5-di(propan-2-yl)-1H-1,2,4-triazole) is sourced from PubChem (CID 162029999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).