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

C97H57F20N15O15 — CID 158617877

IUPAC5-(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
SMILESCc1cc(-c2cc3c(OCc4ncccn4)noc3cc2F)ccc1OC(F)(F)F.Cc1cc(OC(F)(F)F)ccc1-c1cc2c(OCc3ncccn3)noc2cc1F.Fc1cc(C(F)(F)F)ccc1-c1cc2c(OCc3ncccn3)noc2cc1F.Fc1cc2onc(OCc3ncccn3)c2cc1-c1ccc(OC(F)(F)F)cc1.Fc1cc2onc(OCc3ncccn3)c2cc1-c1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/2C20H13F4N3O3.C19H10F5N3O2.C19H11F4N3O3.C19H10F3N3O4/c1-11-7-12(3-4-16(11)29-20(22,23)24)13-8-14-17(9-15(13)21)30-27-19(14)28-10-18-25-5-2-6-26-18;1-11-7-12(29-20(22,23)24)3-4-13(11)14-8-15-17(9-16(14)21)30-27-19(15)28-10-18-25-5-2-6-26-18;20-14-6-10(19(22,23)24)2-3-11(14)12-7-13-16(8-15(12)21)29-27-18(13)28-9-17-25-4-1-5-26-17;20-15-9-16-14(18(26-29-16)27-10-17-24-6-1-7-25-17)8-13(15)11-2-4-12(5-3-11)28-19(21,22)23;20-13-8-15-12(18(25-29-15)26-9-17-23-4-1-5-24-17)7-11(13)10-2-3-14-16(6-10)28-19(21,22)27-14/h2*2-9H,10H2,1H3;1-8H,9H2;1-9H,10H2;1-8H,9H2
InChIKeyHXPQXOHXWDYQGU-UHFFFAOYSA-N
MW2052.57 g/mol
LogP24.81
Rot. Bonds23

About 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

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 (PubChem CID 158617877) has the molecular formula C97H57F20N15O15 and a molecular weight of 2052.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID158617877
Molecular FormulaC97H57F20N15O15
Molecular Weight2052.57 g/mol
Exact Mass2051.38
IUPAC Name5-(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
SMILESCc1cc(-c2cc3c(OCc4ncccn4)noc3cc2F)ccc1OC(F)(F)F.Cc1cc(OC(F)(F)F)ccc1-c1cc2c(OCc3ncccn3)noc2cc1F.Fc1cc(C(F)(F)F)ccc1-c1cc2c(OCc3ncccn3)noc2cc1F.Fc1cc2onc(OCc3ncccn3)c2cc1-c1ccc(OC(F)(F)F)cc1.Fc1cc2onc(OCc3ncccn3)c2cc1-c1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/2C20H13F4N3O3.C19H10F5N3O2.C19H11F4N3O3.C19H10F3N3O4/c1-11-7-12(3-4-16(11)29-20(22,23)24)13-8-14-17(9-15(13)21)30-27-19(14)28-10-18-25-5-2-6-26-18;1-11-7-12(29-20(22,23)24)3-4-13(11)14-8-15-17(9-16(14)21)30-27-19(15)28-10-18-25-5-2-6-26-18;20-14-6-10(19(22,23)24)2-3-11(14)12-7-13-16(8-15(12)21)29-27-18(13)28-9-17-25-4-1-5-26-17;20-15-9-16-14(18(26-29-16)27-10-17-24-6-1-7-25-17)8-13(15)11-2-4-12(5-3-11)28-19(21,22)23;20-13-8-15-12(18(25-29-15)26-9-17-23-4-1-5-24-17)7-11(13)10-2-3-14-16(6-10)28-19(21,22)27-14/h2*2-9H,10H2,1H3;1-8H,9H2;1-9H,10H2;1-8H,9H2
InChIKeyHXPQXOHXWDYQGU-UHFFFAOYSA-N
XLogP24.81
TPSA351.35 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds23
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002052.57
LogP ≤ 524.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 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 with MolForge

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Related Compounds

5-(2,2-Difluoro-1,3-benzodioxol-5-yl)-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole
CID 118161934
5-(2,2-Difluoro-1,3-benzodioxol-5-yl)-6-fluoro-3-(pyrimidin-2-ylmethoxy)-1,2-benzoxazole
CID 118162011
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
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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cc3c(OCc4ncccn4)noc3cc2F)ccc1OC(F)(F)F.Cc1cc(OC(F)(F)F)ccc1-c1cc2c(OCc3ncccn3)noc2cc1F.Fc1cc(C(F)(F)F)ccc1-c1cc2c(OCc3ncccn3)noc2cc1F.Fc1cc2onc(OCc3ncccn3)c2cc1-c1ccc(OC(F)(F)F)cc1.Fc1cc2onc(OCc3ncccn3)c2cc1-c1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 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?
The InChIKey is HXPQXOHXWDYQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H13F4N3O3.C19H10F5N3O2.C19H11F4N3O3.C19H10F3N3O4/c1-11-7-12(3-4-16(11)29-20(22,23)24)13-8-14-17(9-15(13)21)30-27-19(14)28-10-18-25-5-2-6-26-18;1-11-7-12(29-20(22,23)24)3-4-13(11)14-8-15-17(9-16(14)21)30-27-19(15)28-10-18-25-5-2-6-26-18;20-14-6-10(19(22,23)24)2-3-11(14)12-7-13-16(8-15(12)21)29-27-18(13)28-9-17-25-4-1-5-26-17;20-15-9-16-14(18(26-29-16)27-10-17-24-6-1-7-25-17)8-13(15)11-2-4-12(5-3-11)28-19(21,22)23;20-13-8-15-12(18(25-29-15)26-9-17-23-4-1-5-24-17)7-11(13)10-2-3-14-16(6-10)28-19(21,22)27-14/h2*2-9H,10H2,1H3;1-8H,9H2;1-9H,10H2;1-8H,9H2.
What are the key properties of 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?
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 has a molecular weight of 2052.57 g/mol, XLogP of 24.81, 23 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158617877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).