3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole

C81H154N10O3S — CID 162275599

About 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole

3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole (PubChem CID 162275599) has the molecular formula C81H154N10O3S and a molecular weight of 1348.26 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole.

Molecular Properties

• Compound Name: 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole
• PubChem CID: 162275599
• Molecular Formula: C81H154N10O3S
• Molecular Weight: 1348.26 g/mol
• Exact Mass: 1347.19
• IUPAC Name: 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole
• SMILES: C1=NC=NC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CC(C(C)C)C(C(C)C)C1.CC(C)c1cc(C(C)C)on1.CC(C)c1nc(C(C)C)c(C(C)C)o1.CC(C)c1nc(C(C)C)c(C(C)C)s1.CC(C)c1nn(C(C)C)nc1C(C)C.CC(C)c1noc(C(C)C)n1
• InChI: InChI=1S/C14H28.C12H21NO.C12H21NS.C11H21N3.C9H15NO.C8H14N2O.3C4H10.C3H4N2/c1-9(2)12-7-13(10(3)4)14(8-12)11(5)6;2*1-7(2)10-11(8(3)4)14-12(13-10)9(5)6;1-7(2)10-11(8(3)4)13-14(12-10)9(5)6;1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-8(6(3)4)11-10-7;3*1-4(2)3;1-2-5-3-4-1/h9-14H,7-8H2,1-6H3;3*7-9H,1-6H3;5-7H,1-4H3;5-6H,1-4H3;3*4H,1-3H3;1,3H,2H2
• InChIKey: DYUVVNWKDSEIQS-UHFFFAOYSA-N
• XLogP: 26.58
• TPSA: 159.30 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1348.26
LogP ≤ 5	26.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole?

The IUPAC name of 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole (CID 162275599) is 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole.

What is the SMILES notation for 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole?

The canonical SMILES for 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole is C1=NC=NC1.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CC(C(C)C)C(C(C)C)C1.CC(C)c1cc(C(C)C)on1.CC(C)c1nc(C(C)C)c(C(C)C)o1.CC(C)c1nc(C(C)C)c(C(C)C)s1.CC(C)c1nn(C(C)C)nc1C(C)C.CC(C)c1noc(C(C)C)n1.

What is the InChIKey of 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole?

The InChIKey is DYUVVNWKDSEIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28.C12H21NO.C12H21NS.C11H21N3.C9H15NO.C8H14N2O.3C4H10.C3H4N2/c1-9(2)12-7-13(10(3)4)14(8-12)11(5)6;2*1-7(2)10-11(8(3)4)14-12(13-10)9(5)6;1-7(2)10-11(8(3)4)13-14(12-10)9(5)6;1-6(2)8-5-9(7(3)4)11-10-8;1-5(2)7-9-8(6(3)4)11-10-7;3*1-4(2)3;1-2-5-3-4-1/h9-14H,7-8H2,1-6H3;3*7-9H,1-6H3;5-7H,1-4H3;5-6H,1-4H3;3*4H,1-3H3;1,3H,2H2.

What are the key properties of 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole?

3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole has a molecular weight of 1348.26 g/mol, XLogP of 26.58, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;4H-imidazole;tris(2-methylpropane);1,2,4-tri(propan-2-yl)cyclopentane;2,4,5-tri(propan-2-yl)-1,3-oxazole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole is sourced from PubChem (CID 162275599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).