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

C95H126F17N11O12 — CID 157052774

IUPAC5-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
SMILESCC(C)(C)C(F)(F)OCc1nc(-c2ccccc2)oc1C(F)(F)F.CC(C)(C)C(F)(F)OCc1noc(C2CC2)n1.CC(C)(C)C(F)(F)OCc1noc(C2CCC2)n1.Cc1ccc(-c2nc(COC(F)(F)C(C)(C)C)c(C)o2)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/C17H21F2NO2.C16H16F5NO2.C16H19F2NO2.C13H20F2N2O.C12H18F2N2O2.C11H16F2N2O2.C10H16F2N2O/c1-11-6-8-13(9-7-11)15-20-14(12(2)22-15)10-21-17(18,19)16(3,4)5;1-14(2,3)16(20,21)23-9-11-12(15(17,18)19)24-13(22-11)10-7-5-4-6-8-10;1-11-13(10-20-16(17,18)15(2,3)4)19-14(21-11)12-8-6-5-7-9-12;1-12(2,3)13(14,15)18-8-10-7-11(9-5-6-9)16-17(10)4;1-11(2,3)12(13,14)17-7-9-15-10(18-16-9)8-5-4-6-8;1-10(2,3)11(12,13)16-6-8-14-9(17-15-8)7-4-5-7;1-9(2,3)10(11,12)15-7-8-5-6-14(4)13-8/h6-9H,10H2,1-5H3;4-8H,9H2,1-3H3;5-9H,10H2,1-4H3;7,9H,5-6,8H2,1-4H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;5-6H,7H2,1-4H3
InChIKeyAAKCPQPAOADFHX-UHFFFAOYSA-N
MW1937.08 g/mol
LogP28.06
Rot. Bonds27

About 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

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 (PubChem CID 157052774) has the molecular formula C95H126F17N11O12 and a molecular weight of 1937.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID157052774
Molecular FormulaC95H126F17N11O12
Molecular Weight1937.08 g/mol
Exact Mass1935.93
IUPAC Name5-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
SMILESCC(C)(C)C(F)(F)OCc1nc(-c2ccccc2)oc1C(F)(F)F.CC(C)(C)C(F)(F)OCc1noc(C2CC2)n1.CC(C)(C)C(F)(F)OCc1noc(C2CCC2)n1.Cc1ccc(-c2nc(COC(F)(F)C(C)(C)C)c(C)o2)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/C17H21F2NO2.C16H16F5NO2.C16H19F2NO2.C13H20F2N2O.C12H18F2N2O2.C11H16F2N2O2.C10H16F2N2O/c1-11-6-8-13(9-7-11)15-20-14(12(2)22-15)10-21-17(18,19)16(3,4)5;1-14(2,3)16(20,21)23-9-11-12(15(17,18)19)24-13(22-11)10-7-5-4-6-8-10;1-11-13(10-20-16(17,18)15(2,3)4)19-14(21-11)12-8-6-5-7-9-12;1-12(2,3)13(14,15)18-8-10-7-11(9-5-6-9)16-17(10)4;1-11(2,3)12(13,14)17-7-9-15-10(18-16-9)8-5-4-6-8;1-10(2,3)11(12,13)16-6-8-14-9(17-15-8)7-4-5-7;1-9(2,3)10(11,12)15-7-8-5-6-14(4)13-8/h6-9H,10H2,1-5H3;4-8H,9H2,1-3H3;5-9H,10H2,1-4H3;7,9H,5-6,8H2,1-4H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;5-6H,7H2,1-4H3
InChIKeyAAKCPQPAOADFHX-UHFFFAOYSA-N
XLogP28.06
TPSA256.18 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001937.08
LogP ≤ 528.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 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 with MolForge

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Related Compounds

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;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
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
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
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;5-propan-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 165082323

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C(F)(F)OCc1nc(-c2ccccc2)oc1C(F)(F)F.CC(C)(C)C(F)(F)OCc1noc(C2CC2)n1.CC(C)(C)C(F)(F)OCc1noc(C2CCC2)n1.Cc1ccc(-c2nc(COC(F)(F)C(C)(C)C)c(C)o2)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 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?
The InChIKey is AAKCPQPAOADFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO2.C16H16F5NO2.C16H19F2NO2.C13H20F2N2O.C12H18F2N2O2.C11H16F2N2O2.C10H16F2N2O/c1-11-6-8-13(9-7-11)15-20-14(12(2)22-15)10-21-17(18,19)16(3,4)5;1-14(2,3)16(20,21)23-9-11-12(15(17,18)19)24-13(22-11)10-7-5-4-6-8-10;1-11-13(10-20-16(17,18)15(2,3)4)19-14(21-11)12-8-6-5-7-9-12;1-12(2,3)13(14,15)18-8-10-7-11(9-5-6-9)16-17(10)4;1-11(2,3)12(13,14)17-7-9-15-10(18-16-9)8-5-4-6-8;1-10(2,3)11(12,13)16-6-8-14-9(17-15-8)7-4-5-7;1-9(2,3)10(11,12)15-7-8-5-6-14(4)13-8/h6-9H,10H2,1-5H3;4-8H,9H2,1-3H3;5-9H,10H2,1-4H3;7,9H,5-6,8H2,1-4H3;8H,4-7H2,1-3H3;7H,4-6H2,1-3H3;5-6H,7H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1937.08 g/mol, XLogP of 28.06, 27 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157052774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).