3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one

C178H192Cl9N7O23S3 — CID 157172557

IUPAC3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one
SMILESC=CCc1cc(C(=O)CCc2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)ccc1OCC(C)=O.CC(=O)CSc1ccc(C(=O)CCc2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)cc1C.CCOc1ccc(C(=O)CCc2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)cc1C.CCOc1ccc(C(=O)CCc2nc(-c3ccc(Cl)cc3O)oc2C(C)C)cc1C.CCOc1ccc(C(=O)CCc2sc(-c3ccc(C)cc3)nc2C(C)C)cc1C.Cc1cc(C(=O)CCc2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)ccc1OC(C)(C)C(=O)O.Cc1ccc(-c2nc(C(C)C)c(CCC(=O)c3ccc(OC(C)(C)C)c(C)c3)s2)cc1
InChIInChI=1S/C27H27Cl2NO4.C27H33NO2S.C26H27Cl2NO5.C25H25Cl2NO3S.C25H29NO2S.C24H25Cl2NO3.C24H26ClNO4/c1-5-6-19-13-18(7-12-25(19)33-15-17(4)31)24(32)11-10-23-26(16(2)3)34-27(30-23)21-9-8-20(28)14-22(21)29;1-17(2)25-24(31-26(28-25)20-10-8-18(3)9-11-20)15-13-22(29)21-12-14-23(19(4)16-21)30-27(5,6)7;1-14(2)23-20(29-24(33-23)18-8-7-17(27)13-19(18)28)9-10-21(30)16-6-11-22(15(3)12-16)34-26(4,5)25(31)32;1-14(2)24-21(28-25(31-24)19-7-6-18(26)12-20(19)27)8-9-22(30)17-5-10-23(15(3)11-17)32-13-16(4)29;1-6-28-22-13-11-20(15-18(22)5)21(27)12-14-23-24(16(2)3)26-25(29-23)19-9-7-17(4)8-10-19;1-5-29-22-11-6-16(12-15(22)4)21(28)10-9-20-23(14(2)3)30-24(27-20)18-8-7-17(25)13-19(18)26;1-5-29-22-11-6-16(12-15(22)4)20(27)10-9-19-23(14(2)3)30-24(26-19)18-8-7-17(25)13-21(18)28/h5,7-9,12-14,16H,1,6,10-11,15H2,2-4H3;8-12,14,16-17H,13,15H2,1-7H3;6-8,11-14H,9-10H2,1-5H3,(H,31,32);5-7,10-12,14H,8-9,13H2,1-4H3;7-11,13,15-16H,6,12,14H2,1-5H3;6-8,11-14H,5,9-10H2,1-4H3;6-8,11-14,28H,5,9-10H2,1-4H3
InChIKeyANQIHDSOJCJZCM-UHFFFAOYSA-N
MW3212.80 g/mol
LogP49.95
Rot. Bonds60

About 3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one

3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one (PubChem CID 157172557) has the molecular formula C178H192Cl9N7O23S3 and a molecular weight of 3212.80 g/mol. Its IUPAC name is 3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one
PubChem CID157172557
Molecular FormulaC178H192Cl9N7O23S3
Molecular Weight3212.80 g/mol
Exact Mass3206.04
IUPAC Name3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one
SMILESC=CCc1cc(C(=O)CCc2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)ccc1OCC(C)=O.CC(=O)CSc1ccc(C(=O)CCc2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)cc1C.CCOc1ccc(C(=O)CCc2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)cc1C.CCOc1ccc(C(=O)CCc2nc(-c3ccc(Cl)cc3O)oc2C(C)C)cc1C.CCOc1ccc(C(=O)CCc2sc(-c3ccc(C)cc3)nc2C(C)C)cc1C.Cc1cc(C(=O)CCc2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)ccc1OC(C)(C)C(=O)O.Cc1ccc(-c2nc(C(C)C)c(CCC(=O)c3ccc(OC(C)(C)C)c(C)c3)s2)cc1
InChIInChI=1S/C27H27Cl2NO4.C27H33NO2S.C26H27Cl2NO5.C25H25Cl2NO3S.C25H29NO2S.C24H25Cl2NO3.C24H26ClNO4/c1-5-6-19-13-18(7-12-25(19)33-15-17(4)31)24(32)11-10-23-26(16(2)3)34-27(30-23)21-9-8-20(28)14-22(21)29;1-17(2)25-24(31-26(28-25)20-10-8-18(3)9-11-20)15-13-22(29)21-12-14-23(19(4)16-21)30-27(5,6)7;1-14(2)23-20(29-24(33-23)18-8-7-17(27)13-19(18)28)9-10-21(30)16-6-11-22(15(3)12-16)34-26(4,5)25(31)32;1-14(2)24-21(28-25(31-24)19-7-6-18(26)12-20(19)27)8-9-22(30)17-5-10-23(15(3)11-17)32-13-16(4)29;1-6-28-22-13-11-20(15-18(22)5)21(27)12-14-23-24(16(2)3)26-25(29-23)19-9-7-17(4)8-10-19;1-5-29-22-11-6-16(12-15(22)4)21(28)10-9-20-23(14(2)3)30-24(27-20)18-8-7-17(25)13-19(18)26;1-5-29-22-11-6-16(12-15(22)4)20(27)10-9-19-23(14(2)3)30-24(26-19)18-8-7-17(25)13-21(18)28/h5,7-9,12-14,16H,1,6,10-11,15H2,2-4H3;8-12,14,16-17H,13,15H2,1-7H3;6-8,11-14H,9-10H2,1-5H3,(H,31,32);5-7,10-12,14H,8-9,13H2,1-4H3;7-11,13,15-16H,6,12,14H2,1-5H3;6-8,11-14H,5,9-10H2,1-4H3;6-8,11-14,28H,5,9-10H2,1-4H3
InChIKeyANQIHDSOJCJZCM-UHFFFAOYSA-N
XLogP49.95
TPSA422.47 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds60
Heavy Atoms220
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003212.80
LogP ≤ 549.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one?
The IUPAC name of 3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one (CID 157172557) is 3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one.
What is the SMILES notation for 3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one?
The canonical SMILES for 3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one is C=CCc1cc(C(=O)CCc2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)ccc1OCC(C)=O.CC(=O)CSc1ccc(C(=O)CCc2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)cc1C.CCOc1ccc(C(=O)CCc2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)cc1C.CCOc1ccc(C(=O)CCc2nc(-c3ccc(Cl)cc3O)oc2C(C)C)cc1C.CCOc1ccc(C(=O)CCc2sc(-c3ccc(C)cc3)nc2C(C)C)cc1C.Cc1cc(C(=O)CCc2nc(-c3ccc(Cl)cc3Cl)oc2C(C)C)ccc1OC(C)(C)C(=O)O.Cc1ccc(-c2nc(C(C)C)c(CCC(=O)c3ccc(OC(C)(C)C)c(C)c3)s2)cc1.
What is the InChIKey of 3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one?
The InChIKey is ANQIHDSOJCJZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2NO4.C27H33NO2S.C26H27Cl2NO5.C25H25Cl2NO3S.C25H29NO2S.C24H25Cl2NO3.C24H26ClNO4/c1-5-6-19-13-18(7-12-25(19)33-15-17(4)31)24(32)11-10-23-26(16(2)3)34-27(30-23)21-9-8-20(28)14-22(21)29;1-17(2)25-24(31-26(28-25)20-10-8-18(3)9-11-20)15-13-22(29)21-12-14-23(19(4)16-21)30-27(5,6)7;1-14(2)23-20(29-24(33-23)18-8-7-17(27)13-19(18)28)9-10-21(30)16-6-11-22(15(3)12-16)34-26(4,5)25(31)32;1-14(2)24-21(28-25(31-24)19-7-6-18(26)12-20(19)27)8-9-22(30)17-5-10-23(15(3)11-17)32-13-16(4)29;1-6-28-22-13-11-20(15-18(22)5)21(27)12-14-23-24(16(2)3)26-25(29-23)19-9-7-17(4)8-10-19;1-5-29-22-11-6-16(12-15(22)4)21(28)10-9-20-23(14(2)3)30-24(27-20)18-8-7-17(25)13-19(18)26;1-5-29-22-11-6-16(12-15(22)4)20(27)10-9-19-23(14(2)3)30-24(26-19)18-8-7-17(25)13-21(18)28/h5,7-9,12-14,16H,1,6,10-11,15H2,2-4H3;8-12,14,16-17H,13,15H2,1-7H3;6-8,11-14H,9-10H2,1-5H3,(H,31,32);5-7,10-12,14H,8-9,13H2,1-4H3;7-11,13,15-16H,6,12,14H2,1-5H3;6-8,11-14H,5,9-10H2,1-4H3;6-8,11-14,28H,5,9-10H2,1-4H3.
What are the key properties of 3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one?
3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 3212.80 g/mol, XLogP of 49.95, 60 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-2-hydroxyphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-(4-ethoxy-3-methylphenyl)propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[3-methyl-4-(2-oxopropylsulfanyl)phenyl]propan-1-one;3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]-1-[4-(2-oxopropoxy)-3-prop-2-enylphenyl]propan-1-one;2-[4-[3-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]propanoyl]-2-methylphenoxy]-2-methylpropanoic acid;1-(4-ethoxy-3-methylphenyl)-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one;1-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 157172557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).