3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

C123H99F18N13O20 — CID 159519829

IUPAC3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
SMILESC=C1CCCN1CCOc1noc2c(C)cc(-c3ccc(OC(F)(F)F)cc3)cc12.CC1(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)COC1.COc1ccnc(COc2noc3c(C)cc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.Cc1cc(-c2ccc(OC(F)(F)F)cc2)cc2c(OCC3=NC=CC3)noc12.Cc1cc(-c2ccc(OC(F)(F)F)cc2)cc2c(OCCn3cccn3)noc12.Cc1cccnc1COc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C22H21F3N2O3.C21H16F3N3O4.C21H15F3N2O3.C20H16F3N3O3.C20H15F3N2O3.C19H16F3NO4/c1-14-12-17(16-5-7-18(8-6-16)29-22(23,24)25)13-19-20(14)30-26-21(19)28-11-10-27-9-3-4-15(27)2;1-12-9-14(13-3-5-15(6-4-13)30-21(22,23)24)10-16-19(12)31-27-20(16)29-11-17-25-8-7-18(26-17)28-2;1-13-3-2-10-25-18(13)12-27-20-17-11-15(6-9-19(17)29-26-20)14-4-7-16(8-5-14)28-21(22,23)24;1-13-11-15(14-3-5-16(6-4-14)28-20(21,22)23)12-17-18(13)29-25-19(17)27-10-9-26-8-2-7-24-26;1-12-9-14(13-4-6-16(7-5-13)27-20(21,22)23)10-17-18(12)28-25-19(17)26-11-15-3-2-8-24-15;1-18(9-24-10-18)11-25-17-15-8-13(4-7-16(15)27-23-17)12-2-5-14(6-3-12)26-19(20,21)22/h5-8,12-13H,2-4,9-11H2,1H3;3-10H,11H2,1-2H3;2-11H,12H2,1H3;2-8,11-12H,9-10H2,1H3;2,4-10H,3,11H2,1H3;2-8H,9-11H2,1H3
InChIKeyMBQXLOGZHVTEBS-UHFFFAOYSA-N
MW2421.18 g/mol
LogP31.67
Rot. Bonds33

About 3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole

3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (PubChem CID 159519829) has the molecular formula C123H99F18N13O20 and a molecular weight of 2421.18 g/mol. Its IUPAC name is 3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
PubChem CID159519829
Molecular FormulaC123H99F18N13O20
Molecular Weight2421.18 g/mol
Exact Mass2419.68
IUPAC Name3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
SMILESC=C1CCCN1CCOc1noc2c(C)cc(-c3ccc(OC(F)(F)F)cc3)cc12.CC1(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)COC1.COc1ccnc(COc2noc3c(C)cc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.Cc1cc(-c2ccc(OC(F)(F)F)cc2)cc2c(OCC3=NC=CC3)noc12.Cc1cc(-c2ccc(OC(F)(F)F)cc2)cc2c(OCCn3cccn3)noc12.Cc1cccnc1COc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12
InChIInChI=1S/C22H21F3N2O3.C21H16F3N3O4.C21H15F3N2O3.C20H16F3N3O3.C20H15F3N2O3.C19H16F3NO4/c1-14-12-17(16-5-7-18(8-6-16)29-22(23,24)25)13-19-20(14)30-26-21(19)28-11-10-27-9-3-4-15(27)2;1-12-9-14(13-3-5-15(6-4-13)30-21(22,23)24)10-16-19(12)31-27-20(16)29-11-17-25-8-7-18(26-17)28-2;1-13-3-2-10-25-18(13)12-27-20-17-11-15(6-9-19(17)29-26-20)14-4-7-16(8-5-14)28-21(22,23)24;1-13-11-15(14-3-5-16(6-4-14)28-20(21,22)23)12-17-18(13)29-25-19(17)27-10-9-26-8-2-7-24-26;1-12-9-14(13-4-6-16(7-5-13)27-20(21,22)23)10-17-18(12)28-25-19(17)26-11-15-3-2-8-24-15;1-18(9-24-10-18)11-25-17-15-8-13(4-7-16(15)27-23-17)12-2-5-14(6-3-12)26-19(20,21)22/h5-8,12-13H,2-4,9-11H2,1H3;3-10H,11H2,1-2H3;2-11H,12H2,1H3;2-8,11-12H,9-10H2,1H3;2,4-10H,3,11H2,1H3;2-8H,9-11H2,1H3
InChIKeyMBQXLOGZHVTEBS-UHFFFAOYSA-N
XLogP31.67
TPSA357.49 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds33
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002421.18
LogP ≤ 531.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole with MolForge

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Related Compounds

3-[[4-(Oxan-4-yl)pyrimidin-2-yl]methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 126735388
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
3-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(1-pyridin-2-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 157186377
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
N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;bis(3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole);3-(3-methyl-1,2,4-triazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-phenylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 157272140
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
N,N-dimethyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[2-(2-methylidenepyrrolidin-1-yl)ethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-(2-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-(4-methylimidazol-1-yl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;N-(2-pyrazol-1-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine;3-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 157312253
3-[(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-ethyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-fluoro-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(6-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 157381293
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-[[(2S)-5-methylidenepyrrolidin-2-yl]methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-phenyl-1H-imidazol-3-ium-2-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(1-pyridin-2-ylpyrazol-4-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[2-(1,2,4-triazol-4-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole
CID 157393516
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-(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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?
The IUPAC name of 3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole (CID 159519829) is 3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole.
What is the SMILES notation for 3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?
The canonical SMILES for 3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is C=C1CCCN1CCOc1noc2c(C)cc(-c3ccc(OC(F)(F)F)cc3)cc12.CC1(COc2noc3ccc(-c4ccc(OC(F)(F)F)cc4)cc23)COC1.COc1ccnc(COc2noc3c(C)cc(-c4ccc(OC(F)(F)F)cc4)cc23)n1.Cc1cc(-c2ccc(OC(F)(F)F)cc2)cc2c(OCC3=NC=CC3)noc12.Cc1cc(-c2ccc(OC(F)(F)F)cc2)cc2c(OCCn3cccn3)noc12.Cc1cccnc1COc1noc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.
What is the InChIKey of 3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?
The InChIKey is MBQXLOGZHVTEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O3.C21H16F3N3O4.C21H15F3N2O3.C20H16F3N3O3.C20H15F3N2O3.C19H16F3NO4/c1-14-12-17(16-5-7-18(8-6-16)29-22(23,24)25)13-19-20(14)30-26-21(19)28-11-10-27-9-3-4-15(27)2;1-12-9-14(13-3-5-15(6-4-13)30-21(22,23)24)10-16-19(12)31-27-20(16)29-11-17-25-8-7-18(26-17)28-2;1-13-3-2-10-25-18(13)12-27-20-17-11-15(6-9-19(17)29-26-20)14-4-7-16(8-5-14)28-21(22,23)24;1-13-11-15(14-3-5-16(6-4-14)28-20(21,22)23)12-17-18(13)29-25-19(17)27-10-9-26-8-2-7-24-26;1-12-9-14(13-4-6-16(7-5-13)27-20(21,22)23)10-17-18(12)28-25-19(17)26-11-15-3-2-8-24-15;1-18(9-24-10-18)11-25-17-15-8-13(4-7-16(15)27-23-17)12-2-5-14(6-3-12)26-19(20,21)22/h5-8,12-13H,2-4,9-11H2,1H3;3-10H,11H2,1-2H3;2-11H,12H2,1H3;2-8,11-12H,9-10H2,1H3;2,4-10H,3,11H2,1H3;2-8H,9-11H2,1H3.
What are the key properties of 3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole?
3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole has a molecular weight of 2421.18 g/mol, XLogP of 31.67, 33 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxypyrimidin-2-yl)methoxy]-7-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-[2-(2-methylidenepyrrolidin-1-yl)ethoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyloxetan-3-yl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(2-pyrazol-1-ylethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;3-[(3-methyl-2-pyridinyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole;7-methyl-3-(3H-pyrrol-2-ylmethoxy)-5-[4-(trifluoromethoxy)phenyl]-1,2-benzoxazole is sourced from PubChem (CID 159519829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).