5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole

C219H222N12O30S6 — CID 157368754

IUPAC5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCCCCCOc1cc(-c2nc3ccccc3s2)ccc1C.COc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCCCCCOc1cccc(-c2nc3ccccc3s2)c1.COc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCCCCOc1cccc(-c2nc3ccccc3s2)c1.COc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCCCOc1cccc(-c2nc3ccccc3s2)c1.COc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCCOc1cccc(-c2nc3ccccc3s2)c1.COc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCOc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C39H42N2O5S.C38H40N2O5S.C37H38N2O5S.C36H36N2O5S.C35H34N2O5S.C34H32N2O5S/c1-25-14-15-29(39-40-31-12-8-9-13-38(31)47-39)22-34(25)44-18-10-6-7-11-19-45-37-21-28(16-17-33(37)42-4)36-24-32(41-46-36)30-20-26(2)27(3)35(23-30)43-5;1-25-20-29(23-34(42-4)26(25)2)32-24-35(45-40-32)27-16-17-33(41-3)36(22-27)44-19-10-6-5-9-18-43-30-13-11-12-28(21-30)38-39-31-14-7-8-15-37(31)46-38;1-24-19-28(22-33(41-4)25(24)2)31-23-34(44-39-31)26-15-16-32(40-3)35(21-26)43-18-9-5-8-17-42-29-12-10-11-27(20-29)37-38-30-13-6-7-14-36(30)45-37;1-23-18-27(21-32(40-4)24(23)2)30-22-33(43-38-30)25-14-15-31(39-3)34(20-25)42-17-8-7-16-41-28-11-9-10-26(19-28)36-37-29-12-5-6-13-35(29)44-36;1-22-17-26(20-31(39-4)23(22)2)29-21-32(42-37-29)24-13-14-30(38-3)33(19-24)41-16-8-15-40-27-10-7-9-25(18-27)35-36-28-11-5-6-12-34(28)43-35;1-21-16-25(19-30(38-4)22(21)2)28-20-31(41-36-28)23-12-13-29(37-3)32(18-23)40-15-14-39-26-9-7-8-24(17-26)34-35-27-10-5-6-11-33(27)42-34/h8-9,12-17,20-23,36H,6-7,10-11,18-19,24H2,1-5H3;7-8,11-17,20-23,35H,5-6,9-10,18-19,24H2,1-4H3;6-7,10-16,19-22,34H,5,8-9,17-18,23H2,1-4H3;5-6,9-15,18-21,33H,7-8,16-17,22H2,1-4H3;5-7,9-14,17-20,32H,8,15-16,21H2,1-4H3;5-13,16-19,31H,14-15,20H2,1-4H3
InChIKeyBJMQZBGBJPWPLI-UHFFFAOYSA-N
MW3694.64 g/mol
LogP53.29
Rot. Bonds74

About 5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole

5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 157368754) has the molecular formula C219H222N12O30S6 and a molecular weight of 3694.64 g/mol. Its IUPAC name is 5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID157368754
Molecular FormulaC219H222N12O30S6
Molecular Weight3694.64 g/mol
Exact Mass3691.45
IUPAC Name5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCOc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCCCCCOc1cc(-c2nc3ccccc3s2)ccc1C.COc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCCCCCOc1cccc(-c2nc3ccccc3s2)c1.COc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCCCCOc1cccc(-c2nc3ccccc3s2)c1.COc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCCCOc1cccc(-c2nc3ccccc3s2)c1.COc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCCOc1cccc(-c2nc3ccccc3s2)c1.COc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCOc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C39H42N2O5S.C38H40N2O5S.C37H38N2O5S.C36H36N2O5S.C35H34N2O5S.C34H32N2O5S/c1-25-14-15-29(39-40-31-12-8-9-13-38(31)47-39)22-34(25)44-18-10-6-7-11-19-45-37-21-28(16-17-33(37)42-4)36-24-32(41-46-36)30-20-26(2)27(3)35(23-30)43-5;1-25-20-29(23-34(42-4)26(25)2)32-24-35(45-40-32)27-16-17-33(41-3)36(22-27)44-19-10-6-5-9-18-43-30-13-11-12-28(21-30)38-39-31-14-7-8-15-37(31)46-38;1-24-19-28(22-33(41-4)25(24)2)31-23-34(44-39-31)26-15-16-32(40-3)35(21-26)43-18-9-5-8-17-42-29-12-10-11-27(20-29)37-38-30-13-6-7-14-36(30)45-37;1-23-18-27(21-32(40-4)24(23)2)30-22-33(43-38-30)25-14-15-31(39-3)34(20-25)42-17-8-7-16-41-28-11-9-10-26(19-28)36-37-29-12-5-6-13-35(29)44-36;1-22-17-26(20-31(39-4)23(22)2)29-21-32(42-37-29)24-13-14-30(38-3)33(19-24)41-16-8-15-40-27-10-7-9-25(18-27)35-36-28-11-5-6-12-34(28)43-35;1-21-16-25(19-30(38-4)22(21)2)28-20-31(41-36-28)23-12-13-29(37-3)32(18-23)40-15-14-39-26-9-7-8-24(17-26)34-35-27-10-5-6-11-33(27)42-34/h8-9,12-17,20-23,36H,6-7,10-11,18-19,24H2,1-5H3;7-8,11-17,20-23,35H,5-6,9-10,18-19,24H2,1-4H3;6-7,10-16,19-22,34H,5,8-9,17-18,23H2,1-4H3;5-6,9-15,18-21,33H,7-8,16-17,22H2,1-4H3;5-7,9-14,17-20,32H,8,15-16,21H2,1-4H3;5-13,16-19,31H,14-15,20H2,1-4H3
InChIKeyBJMQZBGBJPWPLI-UHFFFAOYSA-N
XLogP53.29
TPSA428.40 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds74
Heavy Atoms267
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003694.64
LogP ≤ 553.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole (CID 157368754) is 5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole is COc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCCCCCOc1cc(-c2nc3ccccc3s2)ccc1C.COc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCCCCCOc1cccc(-c2nc3ccccc3s2)c1.COc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCCCCOc1cccc(-c2nc3ccccc3s2)c1.COc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCCCOc1cccc(-c2nc3ccccc3s2)c1.COc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCCOc1cccc(-c2nc3ccccc3s2)c1.COc1ccc(C2CC(c3cc(C)c(C)c(OC)c3)=NO2)cc1OCCOc1cccc(-c2nc3ccccc3s2)c1.
What is the InChIKey of 5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is BJMQZBGBJPWPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N2O5S.C38H40N2O5S.C37H38N2O5S.C36H36N2O5S.C35H34N2O5S.C34H32N2O5S/c1-25-14-15-29(39-40-31-12-8-9-13-38(31)47-39)22-34(25)44-18-10-6-7-11-19-45-37-21-28(16-17-33(37)42-4)36-24-32(41-46-36)30-20-26(2)27(3)35(23-30)43-5;1-25-20-29(23-34(42-4)26(25)2)32-24-35(45-40-32)27-16-17-33(41-3)36(22-27)44-19-10-6-5-9-18-43-30-13-11-12-28(21-30)38-39-31-14-7-8-15-37(31)46-38;1-24-19-28(22-33(41-4)25(24)2)31-23-34(44-39-31)26-15-16-32(40-3)35(21-26)43-18-9-5-8-17-42-29-12-10-11-27(20-29)37-38-30-13-6-7-14-36(30)45-37;1-23-18-27(21-32(40-4)24(23)2)30-22-33(43-38-30)25-14-15-31(39-3)34(20-25)42-17-8-7-16-41-28-11-9-10-26(19-28)36-37-29-12-5-6-13-35(29)44-36;1-22-17-26(20-31(39-4)23(22)2)29-21-32(42-37-29)24-13-14-30(38-3)33(19-24)41-16-8-15-40-27-10-7-9-25(18-27)35-36-28-11-5-6-12-34(28)43-35;1-21-16-25(19-30(38-4)22(21)2)28-20-31(41-36-28)23-12-13-29(37-3)32(18-23)40-15-14-39-26-9-7-8-24(17-26)34-35-27-10-5-6-11-33(27)42-34/h8-9,12-17,20-23,36H,6-7,10-11,18-19,24H2,1-5H3;7-8,11-17,20-23,35H,5-6,9-10,18-19,24H2,1-4H3;6-7,10-16,19-22,34H,5,8-9,17-18,23H2,1-4H3;5-6,9-15,18-21,33H,7-8,16-17,22H2,1-4H3;5-7,9-14,17-20,32H,8,15-16,21H2,1-4H3;5-13,16-19,31H,14-15,20H2,1-4H3.
What are the key properties of 5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole?
5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 3694.64 g/mol, XLogP of 53.29, 74 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-[5-(1,3-benzothiazol-2-yl)-2-methylphenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[4-[3-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[2-[3-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[6-[3-(1,3-benzothiazol-2-yl)phenoxy]hexoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[5-[3-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole;5-[3-[3-[3-(1,3-benzothiazol-2-yl)phenoxy]propoxy]-4-methoxyphenyl]-3-(3-methoxy-4,5-dimethylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 157368754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).