5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole

C116H101F14N17O14 — CID 157104308

IUPAC5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole
SMILESCc1cc(-c2ccc(OC3CC(c4ccc(F)cc4)C3)cc2)on1.Cc1cc(-c2ccc(OC3CC(c4ncc(C(F)(F)F)cc4F)C3)nc2)on1.Cc1cc(-c2cnc(OC3CC(c4ccc(C(F)(F)F)cn4)C3)cn2)on1.Cc1cc(-c2cnc(OC3CC(c4ccc(C(F)F)c(F)c4)C3)cn2)on1.Cc1cc(-c2cnc(OC3CC(c4ccc(OC(F)(F)F)cc4)C3)cn2)on1.Cc1cc(-c2cnc(OC3CC(c4ccc(OC5CC5)cc4)C3)cn2)on1
InChIInChI=1S/C21H21N3O3.C20H18FNO2.C19H15F4N3O2.C19H16F3N3O3.C19H16F3N3O2.C18H15F3N4O2/c1-13-8-20(27-24-13)19-11-23-21(12-22-19)26-18-9-15(10-18)14-2-4-16(5-3-14)25-17-6-7-17;1-13-10-20(24-22-13)15-4-8-18(9-5-15)23-19-11-16(12-19)14-2-6-17(21)7-3-14;1-10-4-16(28-26-10)11-2-3-17(24-8-11)27-14-5-12(6-14)18-15(20)7-13(9-25-18)19(21,22)23;1-11-6-17(28-25-11)16-9-24-18(10-23-16)26-15-7-13(8-15)12-2-4-14(5-3-12)27-19(20,21)22;1-10-4-17(27-25-10)16-8-24-18(9-23-16)26-13-5-12(6-13)11-2-3-14(19(21)22)15(20)7-11;1-10-4-16(27-25-10)15-8-24-17(9-23-15)26-13-5-11(6-13)14-3-2-12(7-22-14)18(19,20)21/h2-5,8,11-12,15,17-18H,6-7,9-10H2,1H3;2-10,16,19H,11-12H2,1H3;2-4,7-9,12,14H,5-6H2,1H3;2-6,9-10,13,15H,7-8H2,1H3;2-4,7-9,12-13,19H,5-6H2,1H3;2-4,7-9,11,13H,5-6H2,1H3
InChIKeyAGCYKQQQARSGHY-UHFFFAOYSA-N
MW2223.16 g/mol
LogP28.03
Rot. Bonds28

About 5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole

5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole (PubChem CID 157104308) has the molecular formula C116H101F14N17O14 and a molecular weight of 2223.16 g/mol. Its IUPAC name is 5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole
PubChem CID157104308
Molecular FormulaC116H101F14N17O14
Molecular Weight2223.16 g/mol
Exact Mass2221.75
IUPAC Name5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole
SMILESCc1cc(-c2ccc(OC3CC(c4ccc(F)cc4)C3)cc2)on1.Cc1cc(-c2ccc(OC3CC(c4ncc(C(F)(F)F)cc4F)C3)nc2)on1.Cc1cc(-c2cnc(OC3CC(c4ccc(C(F)(F)F)cn4)C3)cn2)on1.Cc1cc(-c2cnc(OC3CC(c4ccc(C(F)F)c(F)c4)C3)cn2)on1.Cc1cc(-c2cnc(OC3CC(c4ccc(OC(F)(F)F)cc4)C3)cn2)on1.Cc1cc(-c2cnc(OC3CC(c4ccc(OC5CC5)cc4)C3)cn2)on1
InChIInChI=1S/C21H21N3O3.C20H18FNO2.C19H15F4N3O2.C19H16F3N3O3.C19H16F3N3O2.C18H15F3N4O2/c1-13-8-20(27-24-13)19-11-23-21(12-22-19)26-18-9-15(10-18)14-2-4-16(5-3-14)25-17-6-7-17;1-13-10-20(24-22-13)15-4-8-18(9-5-15)23-19-11-16(12-19)14-2-6-17(21)7-3-14;1-10-4-16(28-26-10)11-2-3-17(24-8-11)27-14-5-12(6-14)18-15(20)7-13(9-25-18)19(21,22)23;1-11-6-17(28-25-11)16-9-24-18(10-23-16)26-15-7-13(8-15)12-2-4-14(5-3-12)27-19(20,21)22;1-10-4-17(27-25-10)16-8-24-18(9-23-16)26-13-5-12(6-13)11-2-3-14(19(21)22)15(20)7-11;1-10-4-16(27-25-10)15-8-24-17(9-23-15)26-13-5-11(6-13)14-3-2-12(7-22-14)18(19,20)21/h2-5,8,11-12,15,17-18H,6-7,9-10H2,1H3;2-10,16,19H,11-12H2,1H3;2-4,7-9,12,14H,5-6H2,1H3;2-6,9-10,13,15H,7-8H2,1H3;2-4,7-9,12-13,19H,5-6H2,1H3;2-4,7-9,11,13H,5-6H2,1H3
InChIKeyAGCYKQQQARSGHY-UHFFFAOYSA-N
XLogP28.03
TPSA371.81 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms161
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002223.16
LogP ≤ 528.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole?
The IUPAC name of 5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole (CID 157104308) is 5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole is Cc1cc(-c2ccc(OC3CC(c4ccc(F)cc4)C3)cc2)on1.Cc1cc(-c2ccc(OC3CC(c4ncc(C(F)(F)F)cc4F)C3)nc2)on1.Cc1cc(-c2cnc(OC3CC(c4ccc(C(F)(F)F)cn4)C3)cn2)on1.Cc1cc(-c2cnc(OC3CC(c4ccc(C(F)F)c(F)c4)C3)cn2)on1.Cc1cc(-c2cnc(OC3CC(c4ccc(OC(F)(F)F)cc4)C3)cn2)on1.Cc1cc(-c2cnc(OC3CC(c4ccc(OC5CC5)cc4)C3)cn2)on1.
What is the InChIKey of 5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole?
The InChIKey is AGCYKQQQARSGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3.C20H18FNO2.C19H15F4N3O2.C19H16F3N3O3.C19H16F3N3O2.C18H15F3N4O2/c1-13-8-20(27-24-13)19-11-23-21(12-22-19)26-18-9-15(10-18)14-2-4-16(5-3-14)25-17-6-7-17;1-13-10-20(24-22-13)15-4-8-18(9-5-15)23-19-11-16(12-19)14-2-6-17(21)7-3-14;1-10-4-16(28-26-10)11-2-3-17(24-8-11)27-14-5-12(6-14)18-15(20)7-13(9-25-18)19(21,22)23;1-11-6-17(28-25-11)16-9-24-18(10-23-16)26-15-7-13(8-15)12-2-4-14(5-3-12)27-19(20,21)22;1-10-4-17(27-25-10)16-8-24-18(9-23-16)26-13-5-12(6-13)11-2-3-14(19(21)22)15(20)7-11;1-10-4-16(27-25-10)15-8-24-17(9-23-15)26-13-5-11(6-13)14-3-2-12(7-22-14)18(19,20)21/h2-5,8,11-12,15,17-18H,6-7,9-10H2,1H3;2-10,16,19H,11-12H2,1H3;2-4,7-9,12,14H,5-6H2,1H3;2-6,9-10,13,15H,7-8H2,1H3;2-4,7-9,12-13,19H,5-6H2,1H3;2-4,7-9,11,13H,5-6H2,1H3.
What are the key properties of 5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole?
5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole has a molecular weight of 2223.16 g/mol, XLogP of 28.03, 28 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(4-cyclopropyloxyphenyl)cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[5-[3-[4-(difluoromethyl)-3-fluorophenyl]cyclobutyl]oxypyrazin-2-yl]-3-methyl-1,2-oxazole;5-[4-[3-(4-fluorophenyl)cyclobutyl]oxyphenyl]-3-methyl-1,2-oxazole;5-[6-[3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxy-3-pyridinyl]-3-methyl-1,2-oxazole;3-methyl-5-[5-[3-[4-(trifluoromethoxy)phenyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole;3-methyl-5-[5-[3-[5-(trifluoromethyl)-2-pyridinyl]cyclobutyl]oxypyrazin-2-yl]-1,2-oxazole is sourced from PubChem (CID 157104308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).