2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-3-propan-2-yl-1,2,4-thiadiazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,4-trimethyl-5-propan-2-yl-3H-pyrrole

C84H144N19O5S2+ — CID 158488851

About 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-3-propan-2-yl-1,2,4-thiadiazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,4-trimethyl-5-propan-2-yl-3H-pyrrole

2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-3-propan-2-yl-1,2,4-thiadiazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,4-trimethyl-5-propan-2-yl-3H-pyrrole (PubChem CID 158488851) has the molecular formula C84H144N19O5S2+ and a molecular weight of 1564.34 g/mol. Its IUPAC name is 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-3-propan-2-yl-1,2,4-thiadiazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,4-trimethyl-5-propan-2-yl-3H-pyrrole.

Molecular Properties

• Compound Name: 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-3-propan-2-yl-1,2,4-thiadiazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,4-trimethyl-5-propan-2-yl-3H-pyrrole
• PubChem CID: 158488851
• Molecular Formula: C84H144N19O5S2+
• Molecular Weight: 1564.34 g/mol
• Exact Mass: 1563.10
• IUPAC Name: 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-3-propan-2-yl-1,2,4-thiadiazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,4-trimethyl-5-propan-2-yl-3H-pyrrole
• SMILES: CC1=NC(C(C)C)=C(C)C1C.Cc1nc(C(C)C)[n+](C)s1.Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)n(C)c1C.Cc1nc(C)c(C(C)C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nnc(C(C)C)n1C.Cc1nnc(C(C)C)o1.Cc1nnn(C)c1C(C)C.Cc1noc(C(C)C)n1.Cc1onc(C(C)C)c1C
• InChI: InChI=1S/C10H17N.C9H16N2.3C8H13NO.C8H13NS.2C7H13N3.C7H13N2S.2C6H10N2O/c1-6(2)10-8(4)7(3)9(5)11-10;1-6(2)9-10-7(3)8(4)11(9)5;1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-6(3)9-7(4)10-8;1-5(2)8-6(3)7(4)10-9-8;1-5(2)8-6(3)9-7(4)10-8;1-5(2)7-9-8-6(3)10(7)4;1-5(2)7-6(3)8-9-10(7)4;1-5(2)7-8-6(3)10-9(7)4;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6/h6-7H,1-5H3;6H,1-5H3;7*5H,1-4H3;2*4H,1-3H3/q;;;;;;;;+1
• InChIKey: AEMBCBFWPUXGSX-UHFFFAOYSA-N
• XLogP: 22.21
• TPSA: 277.19 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 11
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1564.34
LogP ≤ 5	22.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-3-propan-2-yl-1,2,4-thiadiazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,4-trimethyl-5-propan-2-yl-3H-pyrrole?

The IUPAC name of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-3-propan-2-yl-1,2,4-thiadiazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,4-trimethyl-5-propan-2-yl-3H-pyrrole (CID 158488851) is 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-3-propan-2-yl-1,2,4-thiadiazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,4-trimethyl-5-propan-2-yl-3H-pyrrole.

What is the SMILES notation for 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-3-propan-2-yl-1,2,4-thiadiazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,4-trimethyl-5-propan-2-yl-3H-pyrrole?

The canonical SMILES for 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-3-propan-2-yl-1,2,4-thiadiazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,4-trimethyl-5-propan-2-yl-3H-pyrrole is CC1=NC(C(C)C)=C(C)C1C.Cc1nc(C(C)C)[n+](C)s1.Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)n(C)c1C.Cc1nc(C)c(C(C)C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nnc(C(C)C)n1C.Cc1nnc(C(C)C)o1.Cc1nnn(C)c1C(C)C.Cc1noc(C(C)C)n1.Cc1onc(C(C)C)c1C.

What is the InChIKey of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-3-propan-2-yl-1,2,4-thiadiazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,4-trimethyl-5-propan-2-yl-3H-pyrrole?

The InChIKey is AEMBCBFWPUXGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C9H16N2.3C8H13NO.C8H13NS.2C7H13N3.C7H13N2S.2C6H10N2O/c1-6(2)10-8(4)7(3)9(5)11-10;1-6(2)9-10-7(3)8(4)11(9)5;1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-6(3)9-7(4)10-8;1-5(2)8-6(3)7(4)10-9-8;1-5(2)8-6(3)9-7(4)10-8;1-5(2)7-9-8-6(3)10(7)4;1-5(2)7-6(3)8-9-10(7)4;1-5(2)7-8-6(3)10-9(7)4;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6/h6-7H,1-5H3;6H,1-5H3;7*5H,1-4H3;2*4H,1-3H3/q;;;;;;;;+1;;.

What are the key properties of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-3-propan-2-yl-1,2,4-thiadiazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,4-trimethyl-5-propan-2-yl-3H-pyrrole?

2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-3-propan-2-yl-1,2,4-thiadiazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,4-trimethyl-5-propan-2-yl-3H-pyrrole has a molecular weight of 1564.34 g/mol, XLogP of 22.21, 11 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;2,5-dimethyl-3-propan-2-yl-1,2,4-thiadiazol-2-ium;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1,4-dimethyl-5-propan-2-yltriazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1,4,5-trimethyl-2-propan-2-ylimidazole;2,3,4-trimethyl-5-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 158488851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).