3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole

C100H123F17N10O12 — CID 159449386

IUPAC3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)C(F)(F)OCc1coc(-c2ccccc2)n1.CC(C)(C)C(F)(F)OCc1nc(-c2ccccc2)oc1C(F)(F)F.CC(C)(C)C(F)(F)OCc1noc(-c2ccccc2)n1.Cc1ccc(-c2nc(COC(F)(F)C(C)(C)C)co2)cc1.Cc1oc(-c2ccccc2)nc1COC(F)(F)C(C)(C)C.Cn1ccc(COC(F)(F)C(C)(C)C)n1.Cn1nc(C2CC2)cc1COC(F)(F)C(C)(C)C
InChIInChI=1S/C16H16F5NO2.2C16H19F2NO2.C15H17F2NO2.C14H16F2N2O2.C13H20F2N2O.C10H16F2N2O/c1-14(2,3)16(20,21)23-9-11-12(15(17,18)19)24-13(22-11)10-7-5-4-6-8-10;1-11-5-7-12(8-6-11)14-19-13(9-20-14)10-21-16(17,18)15(2,3)4;1-11-13(10-20-16(17,18)15(2,3)4)19-14(21-11)12-8-6-5-7-9-12;1-14(2,3)15(16,17)20-10-12-9-19-13(18-12)11-7-5-4-6-8-11;1-13(2,3)14(15,16)19-9-11-17-12(20-18-11)10-7-5-4-6-8-10;1-12(2,3)13(14,15)18-8-10-7-11(9-5-6-9)16-17(10)4;1-9(2,3)10(11,12)15-7-8-5-6-14(4)13-8/h4-8H,9H2,1-3H3;2*5-9H,10H2,1-4H3;4-9H,10H2,1-3H3;4-8H,9H2,1-3H3;7,9H,5-6,8H2,1-4H3;5-6H,7H2,1-4H3
InChIKeyLTECSPZKWYYLCH-UHFFFAOYSA-N
MW1980.11 g/mol
LogP29.54
Rot. Bonds27

About 3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole

3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 159449386) has the molecular formula C100H123F17N10O12 and a molecular weight of 1980.11 g/mol. Its IUPAC name is 3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole
PubChem CID159449386
Molecular FormulaC100H123F17N10O12
Molecular Weight1980.11 g/mol
Exact Mass1978.91
IUPAC Name3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)C(F)(F)OCc1coc(-c2ccccc2)n1.CC(C)(C)C(F)(F)OCc1nc(-c2ccccc2)oc1C(F)(F)F.CC(C)(C)C(F)(F)OCc1noc(-c2ccccc2)n1.Cc1ccc(-c2nc(COC(F)(F)C(C)(C)C)co2)cc1.Cc1oc(-c2ccccc2)nc1COC(F)(F)C(C)(C)C.Cn1ccc(COC(F)(F)C(C)(C)C)n1.Cn1nc(C2CC2)cc1COC(F)(F)C(C)(C)C
InChIInChI=1S/C16H16F5NO2.2C16H19F2NO2.C15H17F2NO2.C14H16F2N2O2.C13H20F2N2O.C10H16F2N2O/c1-14(2,3)16(20,21)23-9-11-12(15(17,18)19)24-13(22-11)10-7-5-4-6-8-10;1-11-5-7-12(8-6-11)14-19-13(9-20-14)10-21-16(17,18)15(2,3)4;1-11-13(10-20-16(17,18)15(2,3)4)19-14(21-11)12-8-6-5-7-9-12;1-14(2,3)15(16,17)20-10-12-9-19-13(18-12)11-7-5-4-6-8-11;1-13(2,3)14(15,16)19-9-11-17-12(20-18-11)10-7-5-4-6-8-10;1-12(2,3)13(14,15)18-8-10-7-11(9-5-6-9)16-17(10)4;1-9(2,3)10(11,12)15-7-8-5-6-14(4)13-8/h4-8H,9H2,1-3H3;2*5-9H,10H2,1-4H3;4-9H,10H2,1-3H3;4-8H,9H2,1-3H3;7,9H,5-6,8H2,1-4H3;5-6H,7H2,1-4H3
InChIKeyLTECSPZKWYYLCH-UHFFFAOYSA-N
XLogP29.54
TPSA243.29 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001980.11
LogP ≤ 529.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole;3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole
CID 157052774
1-Benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole
CID 157395306
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 157823897
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;methane;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 158413465
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;4-(1-fluoroethyl)-2-propan-2-ylfuran;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;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 158815176
3-Cyclohexyl-1-methyl-5-propan-2-ylpyrazole;3-[3-(1,1-difluoroethoxy)phenyl]-5-propan-2-yl-1,2-oxazole;3-[3-(1,1-difluoroethyl)phenyl]-5-propan-2-yl-1,2-oxazole;5-[3-(1,1-difluoroethyl)phenyl]-3-propan-2-yl-1,2-oxazole;3-(3-methoxyphenyl)-5-propan-2-yl-1,2-oxazole;bis(3-(3-methylphenyl)-5-propan-2-yl-1,2-oxazole);3-(4-methylphenyl)-5-propan-2-yl-1,2-oxazole;4-(3-methylphenyl)-2-propan-2-yl-1,3-oxazole;5-(3-methylphenyl)-3-propan-2-yl-1,2-oxazole;1-methyl-3-phenyl-5-propan-2-ylpyrazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;5-phenyl-3-propan-2-yl-1,2-oxazole;3-(3-propan-2-yl-1,2-oxazol-5-yl)benzonitrile
CID 159142286
1-Benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-phenyltriazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 159362682
5-cyclobutyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole;3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;5-cyclopropyl-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1,2,4-oxadiazole;2-(1,1-difluoro-2,2-dimethylpropoxy)-2,3-dihydro-1H-indene;7-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,2-dimethyl-3H-1-benzofuran;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2,5-dimethyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2,4-oxadiazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 160267447
1-Benzyl-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;1-(4-chlorophenyl)-4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]triazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyltriazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 160754905
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-(1-fluoroethyl)-2-propan-2-ylfuran;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;3-phenyl-5-propan-2-yl-1,2-oxazole;1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole;5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole
CID 162008443
2-Cyclopropyl-5-propan-2-yl-1,3,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;4-cyclopropyl-2-propan-2-yl-1,3-oxazole;2-(1,1-difluoroethyl)-5-propan-2-yl-1,3,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2,4-oxadiazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-(1-fluoroethyl)-2-propan-2-ylfuran;bis(2-methyl-5-propan-2-yl-1,3,4-oxadiazole);3-methyl-5-propan-2-yl-1,2,4-oxadiazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;3-phenyl-2-propan-2-ylfuran;2-phenyl-5-propan-2-yl-1,3,4-oxadiazole;3-phenyl-5-propan-2-yl-1,2,4-oxadiazole;2-phenyl-4-propan-2-yl-1,3-oxazole;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 165082323
2-(4-Anthracen-9-ylphenyl)-5-phenyl-1,3,4-oxadiazole;3-(4-anthracen-9-ylphenyl)-5-phenyl-1,2,4-oxadiazole;2-(4-anthracen-9-ylphenyl)-5-phenyl-1,3-oxazole;4-(4-anthracen-9-ylphenyl)-2-phenyl-1,3-oxazole;2-(4-anthracen-9-ylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 157125544

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole (CID 159449386) is 3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole is CC(C)(C)C(F)(F)OCc1coc(-c2ccccc2)n1.CC(C)(C)C(F)(F)OCc1nc(-c2ccccc2)oc1C(F)(F)F.CC(C)(C)C(F)(F)OCc1noc(-c2ccccc2)n1.Cc1ccc(-c2nc(COC(F)(F)C(C)(C)C)co2)cc1.Cc1oc(-c2ccccc2)nc1COC(F)(F)C(C)(C)C.Cn1ccc(COC(F)(F)C(C)(C)C)n1.Cn1nc(C2CC2)cc1COC(F)(F)C(C)(C)C.
What is the InChIKey of 3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is LTECSPZKWYYLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F5NO2.2C16H19F2NO2.C15H17F2NO2.C14H16F2N2O2.C13H20F2N2O.C10H16F2N2O/c1-14(2,3)16(20,21)23-9-11-12(15(17,18)19)24-13(22-11)10-7-5-4-6-8-10;1-11-5-7-12(8-6-11)14-19-13(9-20-14)10-21-16(17,18)15(2,3)4;1-11-13(10-20-16(17,18)15(2,3)4)19-14(21-11)12-8-6-5-7-9-12;1-14(2,3)15(16,17)20-10-12-9-19-13(18-12)11-7-5-4-6-8-11;1-13(2,3)14(15,16)19-9-11-17-12(20-18-11)10-7-5-4-6-8-10;1-12(2,3)13(14,15)18-8-10-7-11(9-5-6-9)16-17(10)4;1-9(2,3)10(11,12)15-7-8-5-6-14(4)13-8/h4-8H,9H2,1-3H3;2*5-9H,10H2,1-4H3;4-9H,10H2,1-3H3;4-8H,9H2,1-3H3;7,9H,5-6,8H2,1-4H3;5-6H,7H2,1-4H3.
What are the key properties of 3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole?
3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 1980.11 g/mol, XLogP of 29.54, 27 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(4-methylphenyl)-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-2-phenyl-1,3-oxazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylpyrazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-phenyl-1,2,4-oxadiazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-1,3-oxazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 159449386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).