1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate

C86H108ClF3N14O9 — CID 161291903

About 1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate

1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate (PubChem CID 161291903) has the molecular formula C86H108ClF3N14O9 and a molecular weight of 1574.35 g/mol. Its IUPAC name is 1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate.

Molecular Properties

• Compound Name: 1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
• PubChem CID: 161291903
• Molecular Formula: C86H108ClF3N14O9
• Molecular Weight: 1574.35 g/mol
• Exact Mass: 1572.81
• IUPAC Name: 1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
• SMILES: CC(C)(C)c1cc(-c2ccccc2)no1.CC(C)(C)c1coc(-c2cccc(C(=O)N3CCNCC3)c2)n1.CC(C)(C)c1nc(-c2cccc(C(F)(F)F)c2)no1.CC(C)(C)c1nnc(-c2ccccc2)o1.COC(=O)Nc1cc(C(C)(C)C)on1.Cc1c(Cl)nn(C(C)(C)C)c1-c1ccccc1.Cc1noc(C(C)(C)C)n1
• InChI: InChI=1S/C18H23N3O2.C14H17ClN2.C13H13F3N2O.C13H15NO.C12H14N2O.C9H14N2O3.C7H12N2O/c1-18(2,3)15-12-23-16(20-15)13-5-4-6-14(11-13)17(22)21-9-7-19-8-10-21;1-10-12(11-8-6-5-7-9-11)17(14(2,3)4)16-13(10)15;1-12(2,3)11-17-10(18-19-11)8-5-4-6-9(7-8)13(14,15)16;1-13(2,3)12-9-11(14-15-12)10-7-5-4-6-8-10;1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9;1-9(2,3)6-5-7(11-14-6)10-8(12)13-4;1-5-8-6(10-9-5)7(2,3)4/h4-6,11-12,19H,7-10H2,1-3H3;5-9H,1-4H3;4-7H,1-3H3;4-9H,1-3H3;4-8H,1-3H3;5H,1-4H3,(H,10,11,12);1-4H3
• InChIKey: VGLPGEVSDPHESG-UHFFFAOYSA-N
• XLogP: 21.50
• TPSA: 283.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 7
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1574.35
LogP ≤ 5	21.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?

The IUPAC name of 1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate (CID 161291903) is 1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate.

What is the SMILES notation for 1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?

The canonical SMILES for 1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate is CC(C)(C)c1cc(-c2ccccc2)no1.CC(C)(C)c1coc(-c2cccc(C(=O)N3CCNCC3)c2)n1.CC(C)(C)c1nc(-c2cccc(C(F)(F)F)c2)no1.CC(C)(C)c1nnc(-c2ccccc2)o1.COC(=O)Nc1cc(C(C)(C)C)on1.Cc1c(Cl)nn(C(C)(C)C)c1-c1ccccc1.Cc1noc(C(C)(C)C)n1.

What is the InChIKey of 1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?

The InChIKey is VGLPGEVSDPHESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.C14H17ClN2.C13H13F3N2O.C13H15NO.C12H14N2O.C9H14N2O3.C7H12N2O/c1-18(2,3)15-12-23-16(20-15)13-5-4-6-14(11-13)17(22)21-9-7-19-8-10-21;1-10-12(11-8-6-5-7-9-11)17(14(2,3)4)16-13(10)15;1-12(2,3)11-17-10(18-19-11)8-5-4-6-9(7-8)13(14,15)16;1-13(2,3)12-9-11(14-15-12)10-7-5-4-6-8-10;1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9;1-9(2,3)6-5-7(11-14-6)10-8(12)13-4;1-5-8-6(10-9-5)7(2,3)4/h4-6,11-12,19H,7-10H2,1-3H3;5-9H,1-4H3;4-7H,1-3H3;4-9H,1-3H3;4-8H,1-3H3;5H,1-4H3,(H,10,11,12);1-4H3.

What are the key properties of 1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?

1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate has a molecular weight of 1574.35 g/mol, XLogP of 21.50, 7 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate is sourced from PubChem (CID 161291903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).