bis(5-tert-butyl-3,4-dimethyl-1,2-oxazole);5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-3-ethyl-1,2-oxazole;3-tert-butylfuran;5-tert-butyl-3-(methoxymethyl)-4-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,2-oxazol-2-ium;5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole

C82H137N8O10+ — CID 159748206

About bis(5-tert-butyl-3,4-dimethyl-1,2-oxazole);5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-3-ethyl-1,2-oxazole;3-tert-butylfuran;5-tert-butyl-3-(methoxymethyl)-4-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,2-oxazol-2-ium;5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole

bis(5-tert-butyl-3,4-dimethyl-1,2-oxazole);5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-3-ethyl-1,2-oxazole;3-tert-butylfuran;5-tert-butyl-3-(methoxymethyl)-4-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,2-oxazol-2-ium;5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole (PubChem CID 159748206) has the molecular formula C82H137N8O10+ and a molecular weight of 1395.04 g/mol. Its IUPAC name is bis(5-tert-butyl-3,4-dimethyl-1,2-oxazole);5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-3-ethyl-1,2-oxazole;3-tert-butylfuran;5-tert-butyl-3-(methoxymethyl)-4-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,2-oxazol-2-ium;5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole.

Molecular Properties

• Compound Name: bis(5-tert-butyl-3,4-dimethyl-1,2-oxazole);5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-3-ethyl-1,2-oxazole;3-tert-butylfuran;5-tert-butyl-3-(methoxymethyl)-4-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,2-oxazol-2-ium;5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole
• PubChem CID: 159748206
• Molecular Formula: C82H137N8O10+
• Molecular Weight: 1395.04 g/mol
• Exact Mass: 1394.05
• IUPAC Name: bis(5-tert-butyl-3,4-dimethyl-1,2-oxazole);5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-3-ethyl-1,2-oxazole;3-tert-butylfuran;5-tert-butyl-3-(methoxymethyl)-4-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,2-oxazol-2-ium;5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole
• SMILES: CC(C)(C)c1ccoc1.CCc1cc(C(C)(C)C)on1.CCc1noc(C(C)(C)C)c1C.COCc1noc(C(C)(C)C)c1C.C[n+]1cc(C(C)(C)C)co1.Cc1c(C(C)C)noc1C(C)(C)C.Cc1cc(C(C)(C)C)on1.Cc1noc(C(C)(C)C)c1C.Cc1noc(C(C)(C)C)c1C
• InChI: InChI=1S/C11H19NO.C10H17NO2.C10H17NO.3C9H15NO.C8H14NO.C8H13NO.C8H12O/c1-7(2)9-8(3)10(13-12-9)11(4,5)6;1-7-8(6-12-5)11-13-9(7)10(2,3)4;1-6-8-7(2)9(12-11-8)10(3,4)5;2*1-6-7(2)10-11-8(6)9(3,4)5;1-5-7-6-8(11-10-7)9(2,3)4;1-8(2,3)7-5-9(4)10-6-7;1-6-5-7(10-9-6)8(2,3)4;1-8(2,3)7-4-5-9-6-7/h7H,1-6H3;6H2,1-5H3;6H2,1-5H3;2*1-5H3;6H,5H2,1-4H3;5-6H,1-4H3;5H,1-4H3;4-6H,1-3H3/q;;;;;;+1
• InChIKey: FLXYNKXGOSVJLL-UHFFFAOYSA-N
• XLogP: 22.65
• TPSA: 221.60 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 5
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1395.04
LogP ≤ 5	22.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(5-tert-butyl-3,4-dimethyl-1,2-oxazole);5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-3-ethyl-1,2-oxazole;3-tert-butylfuran;5-tert-butyl-3-(methoxymethyl)-4-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,2-oxazol-2-ium;5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole?

The IUPAC name of bis(5-tert-butyl-3,4-dimethyl-1,2-oxazole);5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-3-ethyl-1,2-oxazole;3-tert-butylfuran;5-tert-butyl-3-(methoxymethyl)-4-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,2-oxazol-2-ium;5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole (CID 159748206) is bis(5-tert-butyl-3,4-dimethyl-1,2-oxazole);5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-3-ethyl-1,2-oxazole;3-tert-butylfuran;5-tert-butyl-3-(methoxymethyl)-4-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,2-oxazol-2-ium;5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole.

What is the SMILES notation for bis(5-tert-butyl-3,4-dimethyl-1,2-oxazole);5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-3-ethyl-1,2-oxazole;3-tert-butylfuran;5-tert-butyl-3-(methoxymethyl)-4-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,2-oxazol-2-ium;5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole?

The canonical SMILES for bis(5-tert-butyl-3,4-dimethyl-1,2-oxazole);5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-3-ethyl-1,2-oxazole;3-tert-butylfuran;5-tert-butyl-3-(methoxymethyl)-4-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,2-oxazol-2-ium;5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole is CC(C)(C)c1ccoc1.CCc1cc(C(C)(C)C)on1.CCc1noc(C(C)(C)C)c1C.COCc1noc(C(C)(C)C)c1C.C[n+]1cc(C(C)(C)C)co1.Cc1c(C(C)C)noc1C(C)(C)C.Cc1cc(C(C)(C)C)on1.Cc1noc(C(C)(C)C)c1C.Cc1noc(C(C)(C)C)c1C.

What is the InChIKey of bis(5-tert-butyl-3,4-dimethyl-1,2-oxazole);5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-3-ethyl-1,2-oxazole;3-tert-butylfuran;5-tert-butyl-3-(methoxymethyl)-4-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,2-oxazol-2-ium;5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole?

The InChIKey is FLXYNKXGOSVJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.C10H17NO2.C10H17NO.3C9H15NO.C8H14NO.C8H13NO.C8H12O/c1-7(2)9-8(3)10(13-12-9)11(4,5)6;1-7-8(6-12-5)11-13-9(7)10(2,3)4;1-6-8-7(2)9(12-11-8)10(3,4)5;2*1-6-7(2)10-11-8(6)9(3,4)5;1-5-7-6-8(11-10-7)9(2,3)4;1-8(2,3)7-5-9(4)10-6-7;1-6-5-7(10-9-6)8(2,3)4;1-8(2,3)7-4-5-9-6-7/h7H,1-6H3;6H2,1-5H3;6H2,1-5H3;2*1-5H3;6H,5H2,1-4H3;5-6H,1-4H3;5H,1-4H3;4-6H,1-3H3/q;;;;;;+1;;.

What are the key properties of bis(5-tert-butyl-3,4-dimethyl-1,2-oxazole);5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-3-ethyl-1,2-oxazole;3-tert-butylfuran;5-tert-butyl-3-(methoxymethyl)-4-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,2-oxazol-2-ium;5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole?

bis(5-tert-butyl-3,4-dimethyl-1,2-oxazole);5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-3-ethyl-1,2-oxazole;3-tert-butylfuran;5-tert-butyl-3-(methoxymethyl)-4-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,2-oxazol-2-ium;5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole has a molecular weight of 1395.04 g/mol, XLogP of 22.65, 5 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-tert-butyl-3,4-dimethyl-1,2-oxazole);5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-3-ethyl-1,2-oxazole;3-tert-butylfuran;5-tert-butyl-3-(methoxymethyl)-4-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,2-oxazol-2-ium;5-tert-butyl-4-methyl-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 159748206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).