5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

C159H252F4N22O14S2 — CID 158686382

About 5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (PubChem CID 158686382) has the molecular formula C159H252F4N22O14S2 and a molecular weight of 2836.03 g/mol. Its IUPAC name is 5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
• PubChem CID: 158686382
• Molecular Formula: C159H252F4N22O14S2
• Molecular Weight: 2836.03 g/mol
• Exact Mass: 2833.91
• IUPAC Name: 5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
• SMILES: C=C(c1cc(C(C)(C)C)on1)N(C)C.C=C(c1cc(C(C)(C)C)on1)N1CCOCC1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C2CC2)no1.CC(C)(C)c1cnc(C2CC2)s1.CC(C)c1cc(C(C)C)on1.CC(C)c1cccc(F)c1.CC(C)c1cnco1.CC(C)c1cnn(C)c1.CC(C)c1nc(CC(F)(F)F)no1.CC(C)c1noc(C(C)C)n1.CCCc1coc(C(C)C)c1.CCc1coc(C(C)(C)C)c1.CCc1coc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)o1.Cc1nc(C(C)C)cs1.Cc1nnc(C(C)C)o1.Cn1ccc(C(C)(C)C)n1
• InChI: InChI=1S/C13H20N2O2.C11H18N2O.C11H19NO.C10H15NO.C10H15NS.2C10H16O.C9H11F.2C9H15NO.C8H14N2O.C8H14N2.C8H13NO.C7H9F3N2O.C7H12N2.C7H11NS.C6H10N2O.C6H9NO/c1-10(15-5-7-16-8-6-15)11-9-12(17-14-11)13(2,3)4;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;1-10(2,3)9-6-8(11-12-9)7-4-5-7;1-10(2,3)8-6-11-9(12-8)7-4-5-7;1-5-8-6-9(11-7-8)10(2,3)4;1-4-5-9-6-10(8(2)3)11-7-9;1-7(2)8-4-3-5-9(10)6-8;1-6(2)8-5-9(7(3)4)11-10-8;1-5-7-6-11-8(10-7)9(2,3)4;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;1-4(2)6-11-5(12-13-6)3-7(8,9)10;1-6(2)7-4-8-9(3)5-7;1-5(2)7-4-9-6(3)8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6/h9H,1,5-8H2,2-4H3;7H,1H2,2-6H3;7H,1-6H3;2*6-7H,4-5H2,1-3H3;6-7H,5H2,1-4H3;6-8H,4-5H2,1-3H3;3-7H,1-2H3;5-7H,1-4H3;6H,5H2,1-4H3;5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;4H,3H2,1-2H3;4-6H,1-3H3;4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3
• InChIKey: IFUHBTDVDKAKKC-UHFFFAOYSA-N
• XLogP: 45.15
• TPSA: 428.41 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2836.03
LogP ≤ 5	45.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?

The IUPAC name of 5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (CID 158686382) is 5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

What is the SMILES notation for 5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?

The canonical SMILES for 5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is C=C(c1cc(C(C)(C)C)on1)N(C)C.C=C(c1cc(C(C)(C)C)on1)N1CCOCC1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C2CC2)no1.CC(C)(C)c1cnc(C2CC2)s1.CC(C)c1cc(C(C)C)on1.CC(C)c1cccc(F)c1.CC(C)c1cnco1.CC(C)c1cnn(C)c1.CC(C)c1nc(CC(F)(F)F)no1.CC(C)c1noc(C(C)C)n1.CCCc1coc(C(C)C)c1.CCc1coc(C(C)(C)C)c1.CCc1coc(C(C)(C)C)n1.Cc1cnc(C(C)(C)C)o1.Cc1nc(C(C)C)cs1.Cc1nnc(C(C)C)o1.Cn1ccc(C(C)(C)C)n1.

What is the InChIKey of 5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?

The InChIKey is IFUHBTDVDKAKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.C11H18N2O.C11H19NO.C10H15NO.C10H15NS.2C10H16O.C9H11F.2C9H15NO.C8H14N2O.C8H14N2.C8H13NO.C7H9F3N2O.C7H12N2.C7H11NS.C6H10N2O.C6H9NO/c1-10(15-5-7-16-8-6-15)11-9-12(17-14-11)13(2,3)4;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;1-10(2,3)9-6-8(11-12-9)7-4-5-7;1-10(2,3)8-6-11-9(12-8)7-4-5-7;1-5-8-6-9(11-7-8)10(2,3)4;1-4-5-9-6-10(8(2)3)11-7-9;1-7(2)8-4-3-5-9(10)6-8;1-6(2)8-5-9(7(3)4)11-10-8;1-5-7-6-11-8(10-7)9(2,3)4;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;1-4(2)6-11-5(12-13-6)3-7(8,9)10;1-6(2)7-4-8-9(3)5-7;1-5(2)7-4-9-6(3)8-7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6/h9H,1,5-8H2,2-4H3;7H,1H2,2-6H3;7H,1-6H3;2*6-7H,4-5H2,1-3H3;6-7H,5H2,1-4H3;6-8H,4-5H2,1-3H3;3-7H,1-2H3;5-7H,1-4H3;6H,5H2,1-4H3;5-6H,1-4H3;5-6H,1-4H3;5H,1-4H3;4H,3H2,1-2H3;4-6H,1-3H3;4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3.

What are the key properties of 5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?

5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole has a molecular weight of 2836.03 g/mol, XLogP of 45.15, 22 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-2-cyclopropyl-1,3-thiazole;2-tert-butyl-4-ethylfuran;2-tert-butyl-4-ethyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;4-[1-(5-tert-butyl-1,2-oxazol-3-yl)ethenyl]morpholine;3,5-ditert-butyl-1,2-oxazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-4-propylfuran;5-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 158686382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).