1-tert-butyl-3,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);1-(4-tert-butyltriazol-1-yl)ethanone;bis(1-(1-tert-butyltriazol-4-yl)propan-2-one);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one);ethyl 4-tert-butyltriazole-1-carboxylate;methane;2-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole

C141H228N32O13 — CID 159935484

About 1-tert-butyl-3,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);1-(4-tert-butyltriazol-1-yl)ethanone;bis(1-(1-tert-butyltriazol-4-yl)propan-2-one);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one);ethyl 4-tert-butyltriazole-1-carboxylate;methane;2-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole

1-tert-butyl-3,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);1-(4-tert-butyltriazol-1-yl)ethanone;bis(1-(1-tert-butyltriazol-4-yl)propan-2-one);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one);ethyl 4-tert-butyltriazole-1-carboxylate;methane;2-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole (PubChem CID 159935484) has the molecular formula C141H228N32O13 and a molecular weight of 2579.59 g/mol. Its IUPAC name is 1-tert-butyl-3,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);1-(4-tert-butyltriazol-1-yl)ethanone;bis(1-(1-tert-butyltriazol-4-yl)propan-2-one);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one);ethyl 4-tert-butyltriazole-1-carboxylate;methane;2-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole.

Molecular Properties

• Compound Name: 1-tert-butyl-3,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);1-(4-tert-butyltriazol-1-yl)ethanone;bis(1-(1-tert-butyltriazol-4-yl)propan-2-one);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one);ethyl 4-tert-butyltriazole-1-carboxylate;methane;2-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole
• PubChem CID: 159935484
• Molecular Formula: C141H228N32O13
• Molecular Weight: 2579.59 g/mol
• Exact Mass: 2577.82
• IUPAC Name: 1-tert-butyl-3,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);1-(4-tert-butyltriazol-1-yl)ethanone;bis(1-(1-tert-butyltriazol-4-yl)propan-2-one);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one);ethyl 4-tert-butyltriazole-1-carboxylate;methane;2-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole
• SMILES: C.C.C.CC(=O)Cc1cn(C(C)(C)C)nn1.CC(=O)Cc1cn(C(C)(C)C)nn1.CC(=O)Cn1cc(C(C)(C)C)nn1.CC(=O)Cn1cc(C(C)(C)C)nn1.CC(=O)c1cn(C(C)(C)C)nn1.CC(=O)c1cn(C(C)(C)C)nn1.CC(=O)n1cc(C(C)(C)C)nn1.CCOC(=O)n1cc(C(C)(C)C)nn1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.Cc1cc(C)n(C(C)(C)C)n1.Cc1cccn1C(C)C.Cc1ccn(C(C)C)c1.Cc1noc(-c2ccccc2)c1C(C)(C)C.Cc1onc(-c2ccccc2)c1C(C)(C)C
• InChI: InChI=1S/2C14H17NO.C9H15N3O2.4C9H15N3O.C9H16N2.3C8H13N3O.2C8H13NO.2C8H13N.3CH4/c1-10-12(14(2,3)4)13(15-16-10)11-8-6-5-7-9-11;1-10-12(14(2,3)4)13(16-15-10)11-8-6-5-7-9-11;1-5-14-8(13)12-6-7(10-11-12)9(2,3)4;2*1-7(13)5-12-6-8(10-11-12)9(2,3)4;2*1-7(13)5-8-6-12(11-10-8)9(2,3)4;1-7-6-8(2)11(10-7)9(3,4)5;1-6(12)11-5-7(9-10-11)8(2,3)4;2*1-6(12)7-5-11(10-9-7)8(2,3)4;1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-7(2)9-5-4-8(3)6-9;1-7(2)9-6-4-5-8(9)3;;;/h2*5-9H,1-4H3;6H,5H2,1-4H3;4*6H,5H2,1-4H3;6H,1-5H3;3*5H,1-4H3;2*5H,1-4H3;2*4-7H,1-3H3;3*1H4
• InChIKey: OAERDKKRJGRMJA-UHFFFAOYSA-N
• XLogP: 31.32
• TPSA: 523.27 Ų
• H-Bond Acceptors: 45
• Rotatable Bonds: 15
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2579.59
LogP ≤ 5	31.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);1-(4-tert-butyltriazol-1-yl)ethanone;bis(1-(1-tert-butyltriazol-4-yl)propan-2-one);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one);ethyl 4-tert-butyltriazole-1-carboxylate;methane;2-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole?

The IUPAC name of 1-tert-butyl-3,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);1-(4-tert-butyltriazol-1-yl)ethanone;bis(1-(1-tert-butyltriazol-4-yl)propan-2-one);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one);ethyl 4-tert-butyltriazole-1-carboxylate;methane;2-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole (CID 159935484) is 1-tert-butyl-3,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);1-(4-tert-butyltriazol-1-yl)ethanone;bis(1-(1-tert-butyltriazol-4-yl)propan-2-one);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one);ethyl 4-tert-butyltriazole-1-carboxylate;methane;2-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole.

What is the SMILES notation for 1-tert-butyl-3,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);1-(4-tert-butyltriazol-1-yl)ethanone;bis(1-(1-tert-butyltriazol-4-yl)propan-2-one);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one);ethyl 4-tert-butyltriazole-1-carboxylate;methane;2-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole?

The canonical SMILES for 1-tert-butyl-3,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);1-(4-tert-butyltriazol-1-yl)ethanone;bis(1-(1-tert-butyltriazol-4-yl)propan-2-one);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one);ethyl 4-tert-butyltriazole-1-carboxylate;methane;2-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole is C.C.C.CC(=O)Cc1cn(C(C)(C)C)nn1.CC(=O)Cc1cn(C(C)(C)C)nn1.CC(=O)Cn1cc(C(C)(C)C)nn1.CC(=O)Cn1cc(C(C)(C)C)nn1.CC(=O)c1cn(C(C)(C)C)nn1.CC(=O)c1cn(C(C)(C)C)nn1.CC(=O)n1cc(C(C)(C)C)nn1.CCOC(=O)n1cc(C(C)(C)C)nn1.Cc1cc(C(C)(C)C)no1.Cc1cc(C(C)(C)C)on1.Cc1cc(C)n(C(C)(C)C)n1.Cc1cccn1C(C)C.Cc1ccn(C(C)C)c1.Cc1noc(-c2ccccc2)c1C(C)(C)C.Cc1onc(-c2ccccc2)c1C(C)(C)C.

What is the InChIKey of 1-tert-butyl-3,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);1-(4-tert-butyltriazol-1-yl)ethanone;bis(1-(1-tert-butyltriazol-4-yl)propan-2-one);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one);ethyl 4-tert-butyltriazole-1-carboxylate;methane;2-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole?

The InChIKey is OAERDKKRJGRMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H17NO.C9H15N3O2.4C9H15N3O.C9H16N2.3C8H13N3O.2C8H13NO.2C8H13N.3CH4/c1-10-12(14(2,3)4)13(15-16-10)11-8-6-5-7-9-11;1-10-12(14(2,3)4)13(16-15-10)11-8-6-5-7-9-11;1-5-14-8(13)12-6-7(10-11-12)9(2,3)4;2*1-7(13)5-12-6-8(10-11-12)9(2,3)4;2*1-7(13)5-8-6-12(11-10-8)9(2,3)4;1-7-6-8(2)11(10-7)9(3,4)5;1-6(12)11-5-7(9-10-11)8(2,3)4;2*1-6(12)7-5-11(10-9-7)8(2,3)4;1-6-5-7(9-10-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-7(2)9-5-4-8(3)6-9;1-7(2)9-6-4-5-8(9)3;;;/h2*5-9H,1-4H3;6H,5H2,1-4H3;4*6H,5H2,1-4H3;6H,1-5H3;3*5H,1-4H3;2*5H,1-4H3;2*4-7H,1-3H3;3*1H4.

What are the key properties of 1-tert-butyl-3,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);1-(4-tert-butyltriazol-1-yl)ethanone;bis(1-(1-tert-butyltriazol-4-yl)propan-2-one);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one);ethyl 4-tert-butyltriazole-1-carboxylate;methane;2-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole?

1-tert-butyl-3,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);1-(4-tert-butyltriazol-1-yl)ethanone;bis(1-(1-tert-butyltriazol-4-yl)propan-2-one);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one);ethyl 4-tert-butyltriazole-1-carboxylate;methane;2-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole has a molecular weight of 2579.59 g/mol, XLogP of 31.32, 15 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3,5-dimethylpyrazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-3-methyl-5-phenyl-1,2-oxazole;4-tert-butyl-5-methyl-3-phenyl-1,2-oxazole;bis(1-(1-tert-butyltriazol-4-yl)ethanone);1-(4-tert-butyltriazol-1-yl)ethanone;bis(1-(1-tert-butyltriazol-4-yl)propan-2-one);bis(1-(4-tert-butyltriazol-1-yl)propan-2-one);ethyl 4-tert-butyltriazole-1-carboxylate;methane;2-methyl-1-propan-2-ylpyrrole;3-methyl-1-propan-2-ylpyrrole is sourced from PubChem (CID 159935484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).