5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole

C120H86F16N20O19 — CID 161458722

IUPAC5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole
SMILESCOc1cc(-c2ccc(C(F)(F)F)cc2F)cc2c(OCc3ncccn3)noc12.COc1cc(-c2ccc(OC(F)(F)F)c(C)c2)cc2c(OCc3ncccn3)noc12.COc1cc(-c2ccc(OC(F)(F)F)cc2)cc2c(OCc3ncccn3)noc12.Cc1cc(-c2cccc(OC(F)(F)F)c2)cc2c(OCc3ncccn3)noc12.FC(F)(F)COc1ccc(-c2ccc3onc(OCc4ncccn4)c3c2)cn1.c1cnc(COc2noc3ccc(-c4ccc(C5CC5)nc4)cc23)nc1
InChIInChI=1S/C21H16F3N3O4.C20H13F4N3O3.C20H14F3N3O4.C20H14F3N3O3.C20H16N4O2.C19H13F3N4O3/c1-12-8-13(4-5-16(12)30-21(22,23)24)14-9-15-19(17(10-14)28-2)31-27-20(15)29-11-18-25-6-3-7-26-18;1-28-16-8-11(13-4-3-12(9-15(13)21)20(22,23)24)7-14-18(16)30-27-19(14)29-10-17-25-5-2-6-26-17;1-27-16-10-13(12-3-5-14(6-4-12)29-20(21,22)23)9-15-18(16)30-26-19(15)28-11-17-24-7-2-8-25-17;1-12-8-14(13-4-2-5-15(9-13)28-20(21,22)23)10-16-18(12)29-26-19(16)27-11-17-24-6-3-7-25-17;1-8-21-19(22-9-1)12-25-20-16-10-14(5-7-18(16)26-24-20)15-4-6-17(23-11-15)13-2-3-13;20-19(21,22)11-28-17-5-3-13(9-25-17)12-2-4-15-14(8-12)18(26-29-15)27-10-16-23-6-1-7-24-16/h3-10H,11H2,1-2H3;2-9H,10H2,1H3;2-10H,11H2,1H3;2-10H,11H2,1H3;1,4-11,13H,2-3,12H2;1-9H,10-11H2
InChIKeyWBMZCLSDWLIILL-UHFFFAOYSA-N
MW2416.10 g/mol
LogP28.29
Rot. Bonds33

About 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole

5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole (PubChem CID 161458722) has the molecular formula C120H86F16N20O19 and a molecular weight of 2416.10 g/mol. Its IUPAC name is 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole.

Molecular Properties

Compound Name5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole
PubChem CID161458722
Molecular FormulaC120H86F16N20O19
Molecular Weight2416.10 g/mol
Exact Mass2414.61
IUPAC Name5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole
SMILESCOc1cc(-c2ccc(C(F)(F)F)cc2F)cc2c(OCc3ncccn3)noc12.COc1cc(-c2ccc(OC(F)(F)F)c(C)c2)cc2c(OCc3ncccn3)noc12.COc1cc(-c2ccc(OC(F)(F)F)cc2)cc2c(OCc3ncccn3)noc12.Cc1cc(-c2cccc(OC(F)(F)F)c2)cc2c(OCc3ncccn3)noc12.FC(F)(F)COc1ccc(-c2ccc3onc(OCc4ncccn4)c3c2)cn1.c1cnc(COc2noc3ccc(-c4ccc(C5CC5)nc4)cc23)nc1
InChIInChI=1S/C21H16F3N3O4.C20H13F4N3O3.C20H14F3N3O4.C20H14F3N3O3.C20H16N4O2.C19H13F3N4O3/c1-12-8-13(4-5-16(12)30-21(22,23)24)14-9-15-19(17(10-14)28-2)31-27-20(15)29-11-18-25-6-3-7-26-18;1-28-16-8-11(13-4-3-12(9-15(13)21)20(22,23)24)7-14-18(16)30-27-19(14)29-10-17-25-5-2-6-26-17;1-27-16-10-13(12-3-5-14(6-4-12)29-20(21,22)23)9-15-18(16)30-26-19(15)28-11-17-24-7-2-8-25-17;1-12-8-14(13-4-2-5-15(9-13)28-20(21,22)23)10-16-18(12)29-26-19(16)27-11-17-24-6-3-7-25-17;1-8-21-19(22-9-1)12-25-20-16-10-14(5-7-18(16)26-24-20)15-4-6-17(23-11-15)13-2-3-13;20-19(21,22)11-28-17-5-3-13(9-25-17)12-2-4-15-14(8-12)18(26-29-15)27-10-16-23-6-1-7-24-16/h3-10H,11H2,1-2H3;2-9H,10H2,1H3;2-10H,11H2,1H3;2-10H,11H2,1H3;1,4-11,13H,2-3,12H2;1-9H,10-11H2
InChIKeyWBMZCLSDWLIILL-UHFFFAOYSA-N
XLogP28.29
TPSA456.63 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds33
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002416.10
LogP ≤ 528.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole with MolForge

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Related Compounds

5-(2,2-Difluoro-1,3-benzodioxol-5-yl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methyl-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methyl-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 157187738
5-[2-Fluoro-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-[(4-methylpyrimidin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 157297690
5-(3-Chloro-4-fluorophenyl)-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-(4-chloro-3-fluorophenyl)-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-fluoro-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;6-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 157674721
5-(4-Chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole
CID 157859361
4-methyl-1-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]pentan-2-one;3-pyridin-2-yloxy-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-(pyrimidin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrimidin-2-yloxy-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrimidin-2-amine
CID 158026949
5-(3,4-dimethoxyphenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(furan-3-yl)-5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole;3-(furan-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 158473702
5-(2,2-Difluoro-1,3-benzodioxol-5-yl)-6-fluoro-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 158617877
2-(8-butoxy-9,9-dimethyl-2H-fluoren-2-id-1-yl)pyridine;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzene-6-id-1-yl]-1,2-benzoxazole;tetrakis(iridium);2-phenylpyridine;2-phenyl-4-pyridin-3-ylpyridine;3-[3-(4-propan-2-ylphenyl)benzene-6-id-1-yl]-1,2-benzoxazole;3-(2H-pyridin-2-id-3-yl)-[1,2]oxazolo[4,5-c]pyridine;2-(2,3,4,5-tetramethylbenzene-6-id-1-yl)pyridine;3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1,2-benzoxazole
CID 158642842
5-(4-Chloro-3-fluorophenyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole
CID 158711364
3-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-(4-methylphenyl)-1,2-benzoxazole;5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole
CID 158743477
3-[(3-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrazin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-pyridin-2-yloxy-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-pyrimidin-2-yloxy-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-pyrrolidin-1-yl-2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethanone;N-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrimidin-2-amine
CID 158939285
3-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethyl)phenyl]-1,2-benzoxazole;5-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-fluoro-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;6-fluoro-5-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole
CID 158952581

Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole?
The IUPAC name of 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole (CID 161458722) is 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole.
What is the SMILES notation for 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole?
The canonical SMILES for 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole is COc1cc(-c2ccc(C(F)(F)F)cc2F)cc2c(OCc3ncccn3)noc12.COc1cc(-c2ccc(OC(F)(F)F)c(C)c2)cc2c(OCc3ncccn3)noc12.COc1cc(-c2ccc(OC(F)(F)F)cc2)cc2c(OCc3ncccn3)noc12.Cc1cc(-c2cccc(OC(F)(F)F)c2)cc2c(OCc3ncccn3)noc12.FC(F)(F)COc1ccc(-c2ccc3onc(OCc4ncccn4)c3c2)cn1.c1cnc(COc2noc3ccc(-c4ccc(C5CC5)nc4)cc23)nc1.
What is the InChIKey of 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole?
The InChIKey is WBMZCLSDWLIILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O4.C20H13F4N3O3.C20H14F3N3O4.C20H14F3N3O3.C20H16N4O2.C19H13F3N4O3/c1-12-8-13(4-5-16(12)30-21(22,23)24)14-9-15-19(17(10-14)28-2)31-27-20(15)29-11-18-25-6-3-7-26-18;1-28-16-8-11(13-4-3-12(9-15(13)21)20(22,23)24)7-14-18(16)30-27-19(14)29-10-17-25-5-2-6-26-17;1-27-16-10-13(12-3-5-14(6-4-12)29-20(21,22)23)9-15-18(16)30-26-19(15)28-11-17-24-7-2-8-25-17;1-12-8-14(13-4-2-5-15(9-13)28-20(21,22)23)10-16-18(12)29-26-19(16)27-11-17-24-6-3-7-25-17;1-8-21-19(22-9-1)12-25-20-16-10-14(5-7-18(16)26-24-20)15-4-6-17(23-11-15)13-2-3-13;20-19(21,22)11-28-17-5-3-13(9-25-17)12-2-4-15-14(8-12)18(26-29-15)27-10-16-23-6-1-7-24-16/h3-10H,11H2,1-2H3;2-9H,10H2,1H3;2-10H,11H2,1H3;2-10H,11H2,1H3;1,4-11,13H,2-3,12H2;1-9H,10-11H2.
What are the key properties of 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole?
5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole has a molecular weight of 2416.10 g/mol, XLogP of 28.29, 33 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyclopropyl-3-pyridinyl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;5-[2-fluoro-4-(trifluoromethyl)phenyl]-7-methoxy-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-5-[3-methyl-4-(trifluoromethoxy)phenyl]-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole;7-methoxy-3-(pyrimidin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(pyrimidin-2-ylmethoxy)-5-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyrimidin-2-ylmethoxy)-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1,2-benzoxazole is sourced from PubChem (CID 161458722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).