2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole

C120H180F9N35O6S3 — CID 164957062

About 2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole

2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 164957062) has the molecular formula C120H180F9N35O6S3 and a molecular weight of 2476.18 g/mol. Its IUPAC name is 2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole
• PubChem CID: 164957062
• Molecular Formula: C120H180F9N35O6S3
• Molecular Weight: 2476.18 g/mol
• Exact Mass: 2474.39
• IUPAC Name: 2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole
• SMILES: CC(C)c1ccn(-c2ccccc2)n1.CC(C)c1n[nH]c(C2CC2)n1.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(C(F)(F)F)n[nH]1.CC(C)c1nccn1CC(C)(F)F.CC(C)c1nnc(C(C)(F)F)o1.CC(C)c1nnc(C(C)(F)F)s1.CC(C)c1nnc(C2CC2)o1.CC(C)c1nnc(C2CC2)s1.Cc1cnc(C(C)C)[nH]1.Cc1coc(C(C)C)n1.Cc1nc(C(C)C)n[nH]1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)n1
• InChI: InChI=1S/C12H14N2.C11H13N3.C9H14F2N2.C8H13N3.C8H12N2O.C8H12N2S.C7H10F2N2O.C7H10F2N2S.C7H12N2.C7H11NO.C6H8F3N3.C6H11N3.3C6H10N2O.C6H10N2S/c1-10(2)12-8-9-14(13-12)11-6-4-3-5-7-11;1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-7(2)8-12-4-5-13(8)6-9(3,10)11;1-5(2)7-9-8(11-10-7)6-3-4-6;2*1-5(2)7-9-10-8(11-7)6-3-4-6;2*1-4(2)5-10-11-6(12-5)7(3,8)9;1-5(2)7-8-4-6(3)9-7;1-5(2)7-8-6(3)4-9-7;1-3(2)4-10-5(12-11-4)6(7,8)9;1-4(2)6-7-5(3)8-9-6;2*1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-4(2)6-8-7-5(3)9-6/h3-10H,1-2H3;3-8H,1-2H3,(H,12,13,14);4-5,7H,6H2,1-3H3;5-6H,3-4H2,1-2H3,(H,9,10,11);2*5-6H,3-4H2,1-2H3;2*4H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3H,1-2H3,(H,10,11,12);4H,1-3H3,(H,7,8,9);4*4H,1-3H3
• InChIKey: BHXORHOEVGOKPP-UHFFFAOYSA-N
• XLogP: 33.35
• TPSA: 528.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 25
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2476.18
LogP ≤ 5	33.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole?

The IUPAC name of 2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole (CID 164957062) is 2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole.

What is the SMILES notation for 2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole?

The canonical SMILES for 2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole is CC(C)c1ccn(-c2ccccc2)n1.CC(C)c1n[nH]c(C2CC2)n1.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1nc(C(F)(F)F)n[nH]1.CC(C)c1nccn1CC(C)(F)F.CC(C)c1nnc(C(C)(F)F)o1.CC(C)c1nnc(C(C)(F)F)s1.CC(C)c1nnc(C2CC2)o1.CC(C)c1nnc(C2CC2)s1.Cc1cnc(C(C)C)[nH]1.Cc1coc(C(C)C)n1.Cc1nc(C(C)C)n[nH]1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.Cc1noc(C(C)C)n1.

What is the InChIKey of 2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole?

The InChIKey is BHXORHOEVGOKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C11H13N3.C9H14F2N2.C8H13N3.C8H12N2O.C8H12N2S.C7H10F2N2O.C7H10F2N2S.C7H12N2.C7H11NO.C6H8F3N3.C6H11N3.3C6H10N2O.C6H10N2S/c1-10(2)12-8-9-14(13-12)11-6-4-3-5-7-11;1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;1-7(2)8-12-4-5-13(8)6-9(3,10)11;1-5(2)7-9-8(11-10-7)6-3-4-6;2*1-5(2)7-9-10-8(11-7)6-3-4-6;2*1-4(2)5-10-11-6(12-5)7(3,8)9;1-5(2)7-8-4-6(3)9-7;1-5(2)7-8-6(3)4-9-7;1-3(2)4-10-5(12-11-4)6(7,8)9;1-4(2)6-7-5(3)8-9-6;2*1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)8-9-6;1-4(2)6-8-7-5(3)9-6/h3-10H,1-2H3;3-8H,1-2H3,(H,12,13,14);4-5,7H,6H2,1-3H3;5-6H,3-4H2,1-2H3,(H,9,10,11);2*5-6H,3-4H2,1-2H3;2*4H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3H,1-2H3,(H,10,11,12);4H,1-3H3,(H,7,8,9);4*4H,1-3H3.

What are the key properties of 2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole?

2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 2476.18 g/mol, XLogP of 33.35, 25 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;2-cyclopropyl-5-propan-2-yl-1,3,4-thiadiazole;5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-thiadiazole;1-(2,2-difluoropropyl)-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1H-imidazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;4-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1H-1,2,4-triazole;1-phenyl-3-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 164957062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).