1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine

C156H246F6N26O9S2 — CID 159414944

About 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine

1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine (PubChem CID 159414944) has the molecular formula C156H246F6N26O9S2 and a molecular weight of 2807.98 g/mol. Its IUPAC name is 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine.

Molecular Properties

• Compound Name: 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
• PubChem CID: 159414944
• Molecular Formula: C156H246F6N26O9S2
• Molecular Weight: 2807.98 g/mol
• Exact Mass: 2805.89
• IUPAC Name: 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
• SMILES: CC(C)c1cc(CO)no1.CC(C)c1cccc(F)c1.CC(C)c1cccnc1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(CCN2CCOCC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1ncn(C(C)C)n1.CC(F)(F)Cc1cc(C(C)(C)C)on1.CC(F)(F)Cn1cc(C(C)(C)C)cn1.CC(F)c1noc(C(C)(C)C)n1.Cc1ccc(C(C)C)o1.Cc1coc(C(C)(C)C)c1.Cc1coc(C(C)(C)C)n1.Cc1csc(C(C)C)c1.Cc1ncc(C(C)(C)C)s1.Cc1nn(C)cc1C(C)C.Cc1nn(C)nc1C(C)C.Cc1nnc(C(C)C)o1
• InChI: InChI=1S/C13H16N2.C12H21N3O.C10H16F2N2.C10H15F2NO.C9H11F.C9H16N2.C9H14O.C8H13FN2O.C8H15N3.C8H14N2.C8H13NO.C8H13NS.C8H11N.C8H12O.C8H12S.C7H13N3.C7H11NO2.C6H10N2O/c1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-11(2)12-9-13-15(10-12)4-3-14-5-7-16-8-6-14;1-9(2,3)8-5-13-14(6-8)7-10(4,11)12;1-9(2,3)8-5-7(13-14-8)6-10(4,11)12;1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-5-10-11(6-9)8(3)4;1-7-5-8(10-6-7)9(2,3)4;1-5(9)6-10-7(12-11-6)8(2,3)4;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-10(4)9-7(8)3;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)8-4-3-5-9-6-8;1-6(2)8-5-4-7(3)9-8;1-6(2)8-4-7(3)5-9-8;1-5(2)7-6(3)8-10(4)9-7;1-5(2)7-3-6(4-9)8-10-7;1-4(2)6-8-7-5(3)9-6/h3-8,10-11H,9H2,1-2H3;9-11H,3-8H2,1-2H3;5-6H,7H2,1-4H3;5H,6H2,1-4H3;3-7H,1-2H3;5-8H,1-4H3;5-6H,1-4H3;5H,1-4H3;5-7H,1-4H3;5-6H,1-4H3;2*5H,1-4H3;3-7H,1-2H3;2*4-6H,1-3H3;5H,1-4H3;3,5,9H,4H2,1-2H3;4H,1-3H3
• InChIKey: LPAVEBPFTXGVME-UHFFFAOYSA-N
• XLogP: 42.22
• TPSA: 391.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2807.98
LogP ≤ 5	42.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine?

The IUPAC name of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine (CID 159414944) is 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine.

What is the SMILES notation for 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine?

The canonical SMILES for 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine is CC(C)c1cc(CO)no1.CC(C)c1cccc(F)c1.CC(C)c1cccnc1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(CCN2CCOCC2)c1.CC(C)c1cnn(Cc2ccccc2)c1.CC(C)c1ncn(C(C)C)n1.CC(F)(F)Cc1cc(C(C)(C)C)on1.CC(F)(F)Cn1cc(C(C)(C)C)cn1.CC(F)c1noc(C(C)(C)C)n1.Cc1ccc(C(C)C)o1.Cc1coc(C(C)(C)C)c1.Cc1coc(C(C)(C)C)n1.Cc1csc(C(C)C)c1.Cc1ncc(C(C)(C)C)s1.Cc1nn(C)cc1C(C)C.Cc1nn(C)nc1C(C)C.Cc1nnc(C(C)C)o1.

What is the InChIKey of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine?

The InChIKey is LPAVEBPFTXGVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C12H21N3O.C10H16F2N2.C10H15F2NO.C9H11F.C9H16N2.C9H14O.C8H13FN2O.C8H15N3.C8H14N2.C8H13NO.C8H13NS.C8H11N.C8H12O.C8H12S.C7H13N3.C7H11NO2.C6H10N2O/c1-11(2)13-8-14-15(10-13)9-12-6-4-3-5-7-12;1-11(2)12-9-13-15(10-12)4-3-14-5-7-16-8-6-14;1-9(2,3)8-5-13-14(6-8)7-10(4,11)12;1-9(2,3)8-5-7(13-14-8)6-10(4,11)12;1-7(2)8-4-3-5-9(10)6-8;1-7(2)9-5-10-11(6-9)8(3)4;1-7-5-8(10-6-7)9(2,3)4;1-5(9)6-10-7(12-11-6)8(2,3)4;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-10(4)9-7(8)3;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)8-4-3-5-9-6-8;1-6(2)8-5-4-7(3)9-8;1-6(2)8-4-7(3)5-9-8;1-5(2)7-6(3)8-10(4)9-7;1-5(2)7-3-6(4-9)8-10-7;1-4(2)6-8-7-5(3)9-6/h3-8,10-11H,9H2,1-2H3;9-11H,3-8H2,1-2H3;5-6H,7H2,1-4H3;5H,6H2,1-4H3;3-7H,1-2H3;5-8H,1-4H3;5-6H,1-4H3;5H,1-4H3;5-7H,1-4H3;5-6H,1-4H3;2*5H,1-4H3;3-7H,1-2H3;2*4-6H,1-3H3;5H,1-4H3;3,5,9H,4H2,1-2H3;4H,1-3H3.

What are the key properties of 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine?

1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine has a molecular weight of 2807.98 g/mol, XLogP of 42.22, 25 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1-fluoro-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;4-methyl-2-propan-2-ylthiophene;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine is sourced from PubChem (CID 159414944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).