tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclopentene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole

C125H166F6N14O6S2 — CID 162041355

About tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclopentene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole

tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclopentene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole (PubChem CID 162041355) has the molecular formula C125H166F6N14O6S2 and a molecular weight of 2138.92 g/mol. Its IUPAC name is tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclopentene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole.

Molecular Properties

• Compound Name: tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclopentene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole
• PubChem CID: 162041355
• Molecular Formula: C125H166F6N14O6S2
• Molecular Weight: 2138.92 g/mol
• Exact Mass: 2137.25
• IUPAC Name: tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclopentene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole
• SMILES: CC(C)C1=NN=NC1.CC(C)C1C=CCC1.CC(C)C1CCN(C(=O)OC(C)(C)C)C1.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc[nH]c1.CC(C)c1ccc(-c2csnn2)cc1.CC(C)c1ccc(-n2ccc(C(F)(F)F)n2)cc1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1cnn(-c2ccccc2)c1C(F)(F)F.Cc1nc(-c2ccccc2)oc1C(C)C
• InChI: InChI=1S/2C13H13F3N2.C13H15NO.C12H23NO2.C11H12N2S.C11H13N.C10H12O2.C8H11N.C8H14.C7H11N.C7H10O.C7H10S.C5H9N3/c1-9(2)10-3-5-11(6-4-10)18-8-7-12(17-18)13(14,15)16;1-9(2)11-8-17-18(12(11)13(14,15)16)10-6-4-3-5-7-10;1-9(2)12-10(3)14-13(15-12)11-7-5-4-6-8-11;1-9(2)10-6-7-13(8-10)11(14)15-12(3,4)5;1-8(2)9-3-5-10(6-4-9)11-7-14-13-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-4(2)5-3-6-8-7-5/h2*3-9H,1-2H3;4-9H,1-3H3;9-10H,6-8H2,1-5H3;3-8H,1-2H3;3-8,12H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;3,5,7-8H,4,6H2,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4H,3H2,1-2H3
• InChIKey: YXHXPAUMNUPNIK-UHFFFAOYSA-N
• XLogP: 37.55
• TPSA: 230.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2138.92
LogP ≤ 5	37.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclopentene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole?

The IUPAC name of tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclopentene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole (CID 162041355) is tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclopentene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole.

What is the SMILES notation for tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclopentene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole?

The canonical SMILES for tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclopentene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole is CC(C)C1=NN=NC1.CC(C)C1C=CCC1.CC(C)C1CCN(C(=O)OC(C)(C)C)C1.CC(C)c1c[nH]c2ccccc12.CC(C)c1cc[nH]c1.CC(C)c1ccc(-c2csnn2)cc1.CC(C)c1ccc(-n2ccc(C(F)(F)F)n2)cc1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1ccsc1.CC(C)c1cnn(-c2ccccc2)c1C(F)(F)F.Cc1nc(-c2ccccc2)oc1C(C)C.

What is the InChIKey of tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclopentene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole?

The InChIKey is YXHXPAUMNUPNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H13F3N2.C13H15NO.C12H23NO2.C11H12N2S.C11H13N.C10H12O2.C8H11N.C8H14.C7H11N.C7H10O.C7H10S.C5H9N3/c1-9(2)10-3-5-11(6-4-10)18-8-7-12(17-18)13(14,15)16;1-9(2)11-8-17-18(12(11)13(14,15)16)10-6-4-3-5-7-10;1-9(2)12-10(3)14-13(15-12)11-7-5-4-6-8-11;1-9(2)10-6-7-13(8-10)11(14)15-12(3,4)5;1-8(2)9-3-5-10(6-4-9)11-7-14-13-12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-4(2)5-3-6-8-7-5/h2*3-9H,1-2H3;4-9H,1-3H3;9-10H,6-8H2,1-5H3;3-8H,1-2H3;3-8,12H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;3,5,7-8H,4,6H2,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4H,3H2,1-2H3.

What are the key properties of tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclopentene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole?

tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclopentene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole has a molecular weight of 2138.92 g/mol, XLogP of 37.55, 17 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;4-methyl-2-phenyl-5-propan-2-yl-1,3-oxazole;1-phenyl-4-propan-2-yl-5-(trifluoromethyl)pyrazole;5-propan-2-yl-1,3-benzodioxole;3-propan-2-ylcyclopentene;2-propan-2-ylfuran;3-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)thiadiazole;1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyrrole;3-propan-2-ylthiophene;5-propan-2-yl-4H-triazole is sourced from PubChem (CID 162041355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).