2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;methane

C74H131N9O9 — CID 167552332

About 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;methane

2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;methane (PubChem CID 167552332) has the molecular formula C74H131N9O9 and a molecular weight of 1290.92 g/mol. Its IUPAC name is 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;methane.

Molecular Properties

• Compound Name: 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;methane
• PubChem CID: 167552332
• Molecular Formula: C74H131N9O9
• Molecular Weight: 1290.92 g/mol
• Exact Mass: 1290.01
• IUPAC Name: 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;methane
• SMILES: C.CC1(C)COC(C(C)(C)C)=N1.CC1CC(C(C)(C)C)=NO1.CC1CN=C(C(C)(C)C)O1.CC1COC(C(C)(C)C)=N1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.Cc1cnc(C(C)(C)C)o1.Cc1coc(C(C)(C)C)n1.Cc1conc1C(C)(C)C
• InChI: InChI=1S/C9H17NO.C8H15NO.C8H13NO.C8H15NO.2C8H13NO.C8H15NO.2C8H13NO.CH4/c1-8(2,3)7-10-9(4,5)6-11-7;2*1-6-5-10-7(9-6)8(2,3)4;2*1-6-5-9-7(10-6)8(2,3)4;1-6-5-10-9-7(6)8(2,3)4;2*1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;/h6H2,1-5H3;6H,5H2,1-4H3;5H,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3;1H4
• InChIKey: COKDOICUHFURMM-UHFFFAOYSA-N
• XLogP: 20.18
• TPSA: 216.51 Ų
• H-Bond Acceptors: 18
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1290.92
LogP ≤ 5	20.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;methane?

The IUPAC name of 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;methane (CID 167552332) is 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;methane.

What is the SMILES notation for 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;methane?

The canonical SMILES for 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;methane is C.CC1(C)COC(C(C)(C)C)=N1.CC1CC(C(C)(C)C)=NO1.CC1CN=C(C(C)(C)C)O1.CC1COC(C(C)(C)C)=N1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.Cc1cnc(C(C)(C)C)o1.Cc1coc(C(C)(C)C)n1.Cc1conc1C(C)(C)C.

What is the InChIKey of 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;methane?

The InChIKey is COKDOICUHFURMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C8H15NO.C8H13NO.C8H15NO.2C8H13NO.C8H15NO.2C8H13NO.CH4/c1-8(2,3)7-10-9(4,5)6-11-7;2*1-6-5-10-7(9-6)8(2,3)4;2*1-6-5-9-7(10-6)8(2,3)4;1-6-5-10-9-7(6)8(2,3)4;2*1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;/h6H2,1-5H3;6H,5H2,1-4H3;5H,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3;6H,5H2,1-4H3;2*5H,1-4H3;1H4.

What are the key properties of 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;methane?

2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;methane has a molecular weight of 1290.92 g/mol, XLogP of 20.18, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4,4-dimethyl-5H-1,3-oxazole;2-tert-butyl-4-methyl-4,5-dihydro-1,3-oxazole;2-tert-butyl-5-methyl-4,5-dihydro-1,3-oxazole;3-tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-4-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;methane is sourced from PubChem (CID 167552332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).