5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole

C110H174F6N18O10S2 — CID 158886857

About 5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole

5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole (PubChem CID 158886857) has the molecular formula C110H174F6N18O10S2 and a molecular weight of 2086.84 g/mol. Its IUPAC name is 5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole.

Molecular Properties

• Compound Name: 5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole
• PubChem CID: 158886857
• Molecular Formula: C110H174F6N18O10S2
• Molecular Weight: 2086.84 g/mol
• Exact Mass: 2085.30
• IUPAC Name: 5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole
• SMILES: CC(C)(C)c1cc(C(=O)N2CCOCC2)no1.CC(C)(C)c1nc(C(F)F)no1.CC(C)c1cnco1.CC(F)(F)Cc1noc(C(C)(C)C)n1.CC(F)(F)Cn1cc(C(C)(C)C)cn1.CCc1cc(C(C)(C)C)on1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)(C)C)o1.Cc1coc(C(C)(C)C)c1.Cc1coc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)s1.Cc1nnc(C(C)(C)C)s1.Cn1ncc(C(C)(C)C)n1
• InChI: InChI=1S/C12H18N2O3.C10H16F2N2.C9H14F2N2O.C9H15NO.C9H13N.2C9H14O.C8H13NO.C8H13NS.C7H10F2N2O.C7H13N3.C7H12N2S.C6H9NO/c1-12(2,3)10-8-9(13-17-10)11(15)14-4-6-16-7-5-14;1-9(2,3)8-5-13-14(6-8)7-10(4,11)12;1-8(2,3)7-12-6(13-14-7)5-9(4,10)11;1-5-7-6-8(11-10-7)9(2,3)4;1-7(2)9-4-5-10-8(3)6-9;1-7-5-8(10-6-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-6-5-10-7(9-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-7(2,3)6-10-5(4(8)9)11-12-6;1-7(2,3)6-5-8-10(4)9-6;1-5-8-9-6(10-5)7(2,3)4;1-5(2)6-3-7-4-8-6/h8H,4-7H2,1-3H3;5-6H,7H2,1-4H3;5H2,1-4H3;6H,5H2,1-4H3;4-7H,1-3H3;2*5-6H,1-4H3;2*5H,1-4H3;4H,1-3H3;5H,1-4H3;1-4H3;3-5H,1-2H3
• InChIKey: JDSURTPEFMWWIV-UHFFFAOYSA-N
• XLogP: 30.05
• TPSA: 337.87 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 9
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2086.84
LogP ≤ 5	30.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole?

The IUPAC name of 5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole (CID 158886857) is 5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole.

What is the SMILES notation for 5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole?

The canonical SMILES for 5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole is CC(C)(C)c1cc(C(=O)N2CCOCC2)no1.CC(C)(C)c1nc(C(F)F)no1.CC(C)c1cnco1.CC(F)(F)Cc1noc(C(C)(C)C)n1.CC(F)(F)Cn1cc(C(C)(C)C)cn1.CCc1cc(C(C)(C)C)on1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)(C)C)o1.Cc1coc(C(C)(C)C)c1.Cc1coc(C(C)(C)C)n1.Cc1ncc(C(C)(C)C)s1.Cc1nnc(C(C)(C)C)s1.Cn1ncc(C(C)(C)C)n1.

What is the InChIKey of 5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole?

The InChIKey is JDSURTPEFMWWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3.C10H16F2N2.C9H14F2N2O.C9H15NO.C9H13N.2C9H14O.C8H13NO.C8H13NS.C7H10F2N2O.C7H13N3.C7H12N2S.C6H9NO/c1-12(2,3)10-8-9(13-17-10)11(15)14-4-6-16-7-5-14;1-9(2,3)8-5-13-14(6-8)7-10(4,11)12;1-8(2,3)7-12-6(13-14-7)5-9(4,10)11;1-5-7-6-8(11-10-7)9(2,3)4;1-7(2)9-4-5-10-8(3)6-9;1-7-5-8(10-6-7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-6-5-10-7(9-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-7(2,3)6-10-5(4(8)9)11-12-6;1-7(2,3)6-5-8-10(4)9-6;1-5-8-9-6(10-5)7(2,3)4;1-5(2)6-3-7-4-8-6/h8H,4-7H2,1-3H3;5-6H,7H2,1-4H3;5H2,1-4H3;6H,5H2,1-4H3;4-7H,1-3H3;2*5-6H,1-4H3;2*5H,1-4H3;4H,1-3H3;5H,1-4H3;1-4H3;3-5H,1-2H3.

What are the key properties of 5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole?

5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole has a molecular weight of 2086.84 g/mol, XLogP of 30.05, 9 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 158886857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).