2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole

C128H209F2N23O12S — CID 158558344

About 2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole

2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole (PubChem CID 158558344) has the molecular formula C128H209F2N23O12S and a molecular weight of 2332.29 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole.

Molecular Properties

• Compound Name: 2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole
• PubChem CID: 158558344
• Molecular Formula: C128H209F2N23O12S
• Molecular Weight: 2332.29 g/mol
• Exact Mass: 2330.61
• IUPAC Name: 2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole
• SMILES: C=C(c1cc(C(C)(C)C)on1)N(C)C.CC(C)(C)c1cc(C(=O)N2CCOCC2)no1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccno1.CC(C)c1cn(C)nn1.CC(C)c1nc(C(C)(F)F)no1.CC(C)c1nc(C2CC2)no1.CC(C)c1noc(C(C)C)n1.CC1=NC(C(C)C)=CC1.CCCc1cc(C(C)(C)C)on1.Cc1cnc(C(C)(C)C)o1.Cc1cnc(C(C)C)s1.Cn1ccc(C(C)(C)C)c1.Cn1ccc(C(C)(C)C)n1
• InChI: InChI=1S/C12H18N2O3.C11H18N2O.C11H19NO.C10H17NO.C9H15NO.C9H15N.C8H12N2O.C8H14N2O.C8H14N2.C8H13NO.C8H13N.C7H10F2N2O.C7H11NS.C6H11N3.C6H9NO/c1-12(2,3)10-8-9(13-17-10)11(15)14-4-6-16-7-5-14;1-8(13(5)6)9-7-10(14-12-9)11(2,3)4;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-5-6-8-7-9(12-11-8)10(2,3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-9(2,3)8-5-6-10(4)7-8;1-5(2)8-9-7(10-11-8)6-3-4-6;1-5(2)7-9-8(6(3)4)11-10-7;1-8(2,3)7-5-6-10(4)9-7;1-6-5-9-7(10-6)8(2,3)4;1-6(2)8-5-4-7(3)9-8;1-4(2)5-10-6(11-12-5)7(3,8)9;1-5(2)7-8-4-6(3)9-7;1-5(2)6-4-9(3)8-7-6;1-5(2)6-3-4-7-8-6/h8H,4-7H2,1-3H3;7H,1H2,2-6H3;7H,1-6H3;7H,5-6H2,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;5-6H,4H2,1-3H3;4H,1-3H3;2*4-5H,1-3H3;3-5H,1-2H3
• InChIKey: HQOMDDYIVHWBAN-UHFFFAOYSA-N
• XLogP: 33.78
• TPSA: 410.46 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2332.29
LogP ≤ 5	33.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole?

The IUPAC name of 2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole (CID 158558344) is 2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole.

What is the SMILES notation for 2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole?

The canonical SMILES for 2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole is C=C(c1cc(C(C)(C)C)on1)N(C)C.CC(C)(C)c1cc(C(=O)N2CCOCC2)no1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)c1cc(C(C)C)on1.CC(C)c1ccno1.CC(C)c1cn(C)nn1.CC(C)c1nc(C(C)(F)F)no1.CC(C)c1nc(C2CC2)no1.CC(C)c1noc(C(C)C)n1.CC1=NC(C(C)C)=CC1.CCCc1cc(C(C)(C)C)on1.Cc1cnc(C(C)(C)C)o1.Cc1cnc(C(C)C)s1.Cn1ccc(C(C)(C)C)c1.Cn1ccc(C(C)(C)C)n1.

What is the InChIKey of 2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole?

The InChIKey is HQOMDDYIVHWBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3.C11H18N2O.C11H19NO.C10H17NO.C9H15NO.C9H15N.C8H12N2O.C8H14N2O.C8H14N2.C8H13NO.C8H13N.C7H10F2N2O.C7H11NS.C6H11N3.C6H9NO/c1-12(2,3)10-8-9(13-17-10)11(15)14-4-6-16-7-5-14;1-8(13(5)6)9-7-10(14-12-9)11(2,3)4;1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-5-6-8-7-9(12-11-8)10(2,3)4;1-6(2)8-5-9(7(3)4)11-10-8;1-9(2,3)8-5-6-10(4)7-8;1-5(2)8-9-7(10-11-8)6-3-4-6;1-5(2)7-9-8(6(3)4)11-10-7;1-8(2,3)7-5-6-10(4)9-7;1-6-5-9-7(10-6)8(2,3)4;1-6(2)8-5-4-7(3)9-8;1-4(2)5-10-6(11-12-5)7(3,8)9;1-5(2)7-8-4-6(3)9-7;1-5(2)6-4-9(3)8-7-6;1-5(2)6-3-4-7-8-6/h8H,4-7H2,1-3H3;7H,1H2,2-6H3;7H,1-6H3;7H,5-6H2,1-4H3;5-7H,1-4H3;5-7H,1-4H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;5-6H,4H2,1-3H3;4H,1-3H3;2*4-5H,1-3H3;3-5H,1-2H3.

What are the key properties of 2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole?

2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole has a molecular weight of 2332.29 g/mol, XLogP of 33.78, 17 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-propyl-1,2-oxazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;3-(1,1-difluoroethyl)-5-propan-2-yl-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 158558344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).