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

C117H76F20N18O18 — CID 157297690

IUPAC5-[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
SMILESCOc1cc(OC(F)(F)F)ccc1-c1ccc2onc(OCc3ncccn3)c2c1.Cc1cc(OC(F)(F)F)ccc1-c1ccc2onc(OCc3ncccn3)c2c1.Cc1ccnc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4ncccn4)c3c2)cc1.Fc1cc(C(F)(F)F)ccc1-c1ccc2onc(OCc3ncccn3)c2c1.Fc1cc(OC(F)(F)F)ccc1-c1ccc2onc(OCc3ncccn3)c2c1
InChIInChI=1S/C20H14F3N3O4.2C20H14F3N3O3.C19H11F4N3O3.C19H11F4N3O2.C19H12F3N3O3/c1-27-17-10-13(29-20(21,22)23)4-5-14(17)12-3-6-16-15(9-12)19(26-30-16)28-11-18-24-7-2-8-25-18;1-12-9-14(28-20(21,22)23)4-5-15(12)13-3-6-17-16(10-13)19(26-29-17)27-11-18-24-7-2-8-25-18;1-12-8-9-24-18(25-12)11-27-19-16-10-14(4-7-17(16)29-26-19)13-2-5-15(6-3-13)28-20(21,22)23;20-15-9-12(28-19(21,22)23)3-4-13(15)11-2-5-16-14(8-11)18(26-29-16)27-10-17-24-6-1-7-25-17;20-15-9-12(19(21,22)23)3-4-13(15)11-2-5-16-14(8-11)18(26-28-16)27-10-17-24-6-1-7-25-17;20-19(21,22)27-14-5-2-12(3-6-14)13-4-7-16-15(10-13)18(25-28-16)26-11-17-23-8-1-9-24-17/h2-10H,11H2,1H3;2*2-10H,11H2,1H3;1-9H,10H2;1-9H,10H2;1-10H,11H2
InChIKeyBBNJZQAVTHHGFG-UHFFFAOYSA-N
MW2401.96 g/mol
LogP29.60
Rot. Bonds30

About 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

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 (PubChem CID 157297690) has the molecular formula C117H76F20N18O18 and a molecular weight of 2401.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID157297690
Molecular FormulaC117H76F20N18O18
Molecular Weight2401.96 g/mol
Exact Mass2400.53
IUPAC Name5-[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
SMILESCOc1cc(OC(F)(F)F)ccc1-c1ccc2onc(OCc3ncccn3)c2c1.Cc1cc(OC(F)(F)F)ccc1-c1ccc2onc(OCc3ncccn3)c2c1.Cc1ccnc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4ncccn4)c3c2)cc1.Fc1cc(C(F)(F)F)ccc1-c1ccc2onc(OCc3ncccn3)c2c1.Fc1cc(OC(F)(F)F)ccc1-c1ccc2onc(OCc3ncccn3)c2c1
InChIInChI=1S/C20H14F3N3O4.2C20H14F3N3O3.C19H11F4N3O3.C19H11F4N3O2.C19H12F3N3O3/c1-27-17-10-13(29-20(21,22)23)4-5-14(17)12-3-6-16-15(9-12)19(26-30-16)28-11-18-24-7-2-8-25-18;1-12-9-14(28-20(21,22)23)4-5-15(12)13-3-6-17-16(10-13)19(26-29-17)27-11-18-24-7-2-8-25-18;1-12-8-9-24-18(25-12)11-27-19-16-10-14(4-7-17(16)29-26-19)13-2-5-15(6-3-13)28-20(21,22)23;20-15-9-12(28-19(21,22)23)3-4-13(15)11-2-5-16-14(8-11)18(26-29-16)27-10-17-24-6-1-7-25-17;20-15-9-12(19(21,22)23)3-4-13(15)11-2-5-16-14(8-11)18(26-28-16)27-10-17-24-6-1-7-25-17;20-19(21,22)27-14-5-2-12(3-6-14)13-4-7-16-15(10-13)18(25-28-16)26-11-17-23-8-1-9-24-17/h2-10H,11H2,1H3;2*2-10H,11H2,1H3;1-9H,10H2;1-9H,10H2;1-10H,11H2
InChIKeyBBNJZQAVTHHGFG-UHFFFAOYSA-N
XLogP29.60
TPSA421.62 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds30
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002401.96
LogP ≤ 529.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

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Related Compounds

3-[2-(3,5-Dimethyl-1,2,4-triazol-1-yl)propoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[7-fluoro-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one;3-(isoquinolin-3-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxy-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-piperidin-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 157165578
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
3-[(4-cyclohexylpyrimidin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(1H-imidazol-2-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(4-methoxypyrimidin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 157667652
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
3-[2-(3,5-Dimethyl-1,2,4-triazol-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methylpyrazin-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(2-pyrazol-1-ylpropoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(pyridin-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;1-[2-[[5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-yl]oxy]ethyl]pyrrolidin-2-one
CID 158002007
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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(OC(F)(F)F)ccc1-c1ccc2onc(OCc3ncccn3)c2c1.Cc1cc(OC(F)(F)F)ccc1-c1ccc2onc(OCc3ncccn3)c2c1.Cc1ccnc(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.FC(F)(F)Oc1ccc(-c2ccc3onc(OCc4ncccn4)c3c2)cc1.Fc1cc(C(F)(F)F)ccc1-c1ccc2onc(OCc3ncccn3)c2c1.Fc1cc(OC(F)(F)F)ccc1-c1ccc2onc(OCc3ncccn3)c2c1.
What is the InChIKey of 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?
The InChIKey is BBNJZQAVTHHGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O4.2C20H14F3N3O3.C19H11F4N3O3.C19H11F4N3O2.C19H12F3N3O3/c1-27-17-10-13(29-20(21,22)23)4-5-14(17)12-3-6-16-15(9-12)19(26-30-16)28-11-18-24-7-2-8-25-18;1-12-9-14(28-20(21,22)23)4-5-15(12)13-3-6-17-16(10-13)19(26-29-17)27-11-18-24-7-2-8-25-18;1-12-8-9-24-18(25-12)11-27-19-16-10-14(4-7-17(16)29-26-19)13-2-5-15(6-3-13)28-20(21,22)23;20-15-9-12(28-19(21,22)23)3-4-13(15)11-2-5-16-14(8-11)18(26-29-16)27-10-17-24-6-1-7-25-17;20-15-9-12(19(21,22)23)3-4-13(15)11-2-5-16-14(8-11)18(26-28-16)27-10-17-24-6-1-7-25-17;20-19(21,22)27-14-5-2-12(3-6-14)13-4-7-16-15(10-13)18(25-28-16)26-11-17-23-8-1-9-24-17/h2-10H,11H2,1H3;2*2-10H,11H2,1H3;1-9H,10H2;1-9H,10H2;1-10H,11H2.
What are the key properties of 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?
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 has a molecular weight of 2401.96 g/mol, XLogP of 29.60, 30 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157297690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).