4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole

C90H163N14O2S3+ — CID 157296302

About 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole

4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole (PubChem CID 157296302) has the molecular formula C90H163N14O2S3+ and a molecular weight of 1569.59 g/mol. Its IUPAC name is 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole.

Molecular Properties

• Compound Name: 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole
• PubChem CID: 157296302
• Molecular Formula: C90H163N14O2S3+
• Molecular Weight: 1569.59 g/mol
• Exact Mass: 1568.22
• IUPAC Name: 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole
• SMILES: CC(C)(C)c1nnsc1C(C)(C)C.Cc1nc(C(C)(C)C)c(C(C)(C)C)s1.Cc1nc(C(C)(C)C)c(C(C)C)o1.Cc1nn(C)c(C(C)(C)C)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cc1nsc(C(C)(C)C)c1C(C)(C)C.Cn1nc(C(C)(C)C)c(C(C)(C)C)[n+]1C.Cn1nnc(C(C)(C)C)c1C(C)(C)C
• InChI: InChI=1S/C13H24N2.C12H24N3.2C12H21NS.C11H21N3.C11H19NO.C10H18N2S.C9H15NO/c1-9-10(12(2,3)4)11(13(5,6)7)15(8)14-9;1-11(2,3)9-10(12(4,5)6)14(7)15(8)13-9;1-8-13-9(11(2,3)4)10(14-8)12(5,6)7;1-8-9(11(2,3)4)10(14-13-8)12(5,6)7;1-10(2,3)8-9(11(4,5)6)14(7)13-12-8;1-7(2)9-10(11(4,5)6)12-8(3)13-9;1-9(2,3)7-8(10(4,5)6)13-12-11-7;1-6-8(9(3,4)5)7(2)11-10-6/h2*1-8H3;3*1-7H3;7H,1-6H3;1-6H3;1-5H3/q;+1
• InChIKey: YHBZIYHWZAQJEP-UHFFFAOYSA-N
• XLogP: 24.79
• TPSA: 173.85 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 1
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1569.59
LogP ≤ 5	24.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole?

The IUPAC name of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole (CID 157296302) is 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole.

What is the SMILES notation for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole?

The canonical SMILES for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole is CC(C)(C)c1nnsc1C(C)(C)C.Cc1nc(C(C)(C)C)c(C(C)(C)C)s1.Cc1nc(C(C)(C)C)c(C(C)C)o1.Cc1nn(C)c(C(C)(C)C)c1C(C)(C)C.Cc1noc(C)c1C(C)(C)C.Cc1nsc(C(C)(C)C)c1C(C)(C)C.Cn1nc(C(C)(C)C)c(C(C)(C)C)[n+]1C.Cn1nnc(C(C)(C)C)c1C(C)(C)C.

What is the InChIKey of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole?

The InChIKey is YHBZIYHWZAQJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2.C12H24N3.2C12H21NS.C11H21N3.C11H19NO.C10H18N2S.C9H15NO/c1-9-10(12(2,3)4)11(13(5,6)7)15(8)14-9;1-11(2,3)9-10(12(4,5)6)14(7)15(8)13-9;1-8-13-9(11(2,3)4)10(14-8)12(5,6)7;1-8-9(11(2,3)4)10(14-13-8)12(5,6)7;1-10(2,3)8-9(11(4,5)6)14(7)13-12-8;1-7(2)9-10(11(4,5)6)12-8(3)13-9;1-9(2,3)7-8(10(4,5)6)13-12-11-7;1-6-8(9(3,4)5)7(2)11-10-6/h2*1-8H3;3*1-7H3;7H,1-6H3;1-6H3;1-5H3/q;+1;;;;;;.

What are the key properties of 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole?

4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole has a molecular weight of 1569.59 g/mol, XLogP of 24.79, 1 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole is sourced from PubChem (CID 157296302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).