N-tert-butyl-3,5-dichloro-N-[4-[(4-methylsulfonyl-1,3-oxazol-5-yl)methoxy]phenyl]-4-propoxyaniline;4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]-N-[2-methyl-4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-oxazol-5-yl]benzamide;5-[1-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole;5-[2-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenyl]ethyl]-4-methylsulfonyl-1,3-oxazole

C120H134Cl11N7O23S5 — CID 161253596

About N-tert-butyl-3,5-dichloro-N-[4-[(4-methylsulfonyl-1,3-oxazol-5-yl)methoxy]phenyl]-4-propoxyaniline;4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]-N-[2-methyl-4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-oxazol-5-yl]benzamide;5-[1-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole;5-[2-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenyl]ethyl]-4-methylsulfonyl-1,3-oxazole

N-tert-butyl-3,5-dichloro-N-[4-[(4-methylsulfonyl-1,3-oxazol-5-yl)methoxy]phenyl]-4-propoxyaniline;4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]-N-[2-methyl-4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-oxazol-5-yl]benzamide;5-[1-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole;5-[2-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenyl]ethyl]-4-methylsulfonyl-1,3-oxazole (PubChem CID 161253596) has the molecular formula C120H134Cl11N7O23S5 and a molecular weight of 2592.74 g/mol. Its IUPAC name is N-tert-butyl-3,5-dichloro-N-[4-[(4-methylsulfonyl-1,3-oxazol-5-yl)methoxy]phenyl]-4-propoxyaniline;4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]-N-[2-methyl-4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-oxazol-5-yl]benzamide;5-[1-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole;5-[2-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenyl]ethyl]-4-methylsulfonyl-1,3-oxazole.

Molecular Properties

• Compound Name: N-tert-butyl-3,5-dichloro-N-[4-[(4-methylsulfonyl-1,3-oxazol-5-yl)methoxy]phenyl]-4-propoxyaniline;4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]-N-[2-methyl-4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-oxazol-5-yl]benzamide;5-[1-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole;5-[2-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenyl]ethyl]-4-methylsulfonyl-1,3-oxazole
• PubChem CID: 161253596
• Molecular Formula: C120H134Cl11N7O23S5
• Molecular Weight: 2592.74 g/mol
• Exact Mass: 2585.47
• IUPAC Name: N-tert-butyl-3,5-dichloro-N-[4-[(4-methylsulfonyl-1,3-oxazol-5-yl)methoxy]phenyl]-4-propoxyaniline;4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]-N-[2-methyl-4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-oxazol-5-yl]benzamide;5-[1-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole;5-[2-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenyl]ethyl]-4-methylsulfonyl-1,3-oxazole
• SMILES: C=S(C)(=O)c1nc(C)oc1NC(=O)c1ccc(C(C)(C)c2cc(Cl)c(OCCCl)c(Cl)c2)cc1.CCCOc1c(Cl)cc(C(C)(C)c2ccc(CCc3ocnc3S(C)(=O)=O)cc2)cc1Cl.CCCOc1c(Cl)cc(C(C)(C)c2ccc(OC(C)c3ocnc3S(C)(=O)=O)cc2)cc1Cl.CCCOc1c(Cl)cc(C(C)(C)c2ccc(OCc3oc(C)nc3S(C)(=O)=O)cc2)cc1Cl.CCCOc1c(Cl)cc(N(c2ccc(OCc3ocnc3S(C)(=O)=O)cc2)C(C)(C)C)cc1Cl
• InChI: InChI=1S/C24H25Cl3N2O4S.C24H28Cl2N2O5S.2C24H27Cl2NO5S.C24H27Cl2NO4S/c1-14-28-23(34(4,5)31)22(33-14)29-21(30)15-6-8-16(9-7-15)24(2,3)17-12-18(26)20(19(27)13-17)32-11-10-25;1-6-11-31-22-19(25)12-17(13-20(22)26)28(24(2,3)4)16-7-9-18(10-8-16)32-14-21-23(27-15-33-21)34(5,29)30;1-6-11-30-22-19(25)12-17(13-20(22)26)24(3,4)16-7-9-18(10-8-16)32-15(2)21-23(27-14-31-21)33(5,28)29;1-6-11-30-22-19(25)12-17(13-20(22)26)24(3,4)16-7-9-18(10-8-16)31-14-21-23(33(5,28)29)27-15(2)32-21;1-5-12-30-22-19(25)13-18(14-20(22)26)24(2,3)17-9-6-16(7-10-17)8-11-21-23(27-15-31-21)32(4,28)29/h6-9,12-13H,4,10-11H2,1-3,5H3,(H,29,30);7-10,12-13,15H,6,11,14H2,1-5H3;7-10,12-15H,6,11H2,1-5H3;7-10,12-13H,6,11,14H2,1-5H3;6-7,9-10,13-15H,5,8,11-12H2,1-4H3
• InChIKey: VBPHSDBNRVWVRM-UHFFFAOYSA-N
• XLogP: 32.19
• TPSA: 389.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 44
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2592.74
LogP ≤ 5	32.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,5-dichloro-N-[4-[(4-methylsulfonyl-1,3-oxazol-5-yl)methoxy]phenyl]-4-propoxyaniline;4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]-N-[2-methyl-4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-oxazol-5-yl]benzamide;5-[1-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole;5-[2-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenyl]ethyl]-4-methylsulfonyl-1,3-oxazole?

The IUPAC name of N-tert-butyl-3,5-dichloro-N-[4-[(4-methylsulfonyl-1,3-oxazol-5-yl)methoxy]phenyl]-4-propoxyaniline;4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]-N-[2-methyl-4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-oxazol-5-yl]benzamide;5-[1-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole;5-[2-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenyl]ethyl]-4-methylsulfonyl-1,3-oxazole (CID 161253596) is N-tert-butyl-3,5-dichloro-N-[4-[(4-methylsulfonyl-1,3-oxazol-5-yl)methoxy]phenyl]-4-propoxyaniline;4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]-N-[2-methyl-4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-oxazol-5-yl]benzamide;5-[1-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole;5-[2-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenyl]ethyl]-4-methylsulfonyl-1,3-oxazole.

What is the SMILES notation for N-tert-butyl-3,5-dichloro-N-[4-[(4-methylsulfonyl-1,3-oxazol-5-yl)methoxy]phenyl]-4-propoxyaniline;4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]-N-[2-methyl-4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-oxazol-5-yl]benzamide;5-[1-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole;5-[2-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenyl]ethyl]-4-methylsulfonyl-1,3-oxazole?

The canonical SMILES for N-tert-butyl-3,5-dichloro-N-[4-[(4-methylsulfonyl-1,3-oxazol-5-yl)methoxy]phenyl]-4-propoxyaniline;4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]-N-[2-methyl-4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-oxazol-5-yl]benzamide;5-[1-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole;5-[2-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenyl]ethyl]-4-methylsulfonyl-1,3-oxazole is C=S(C)(=O)c1nc(C)oc1NC(=O)c1ccc(C(C)(C)c2cc(Cl)c(OCCCl)c(Cl)c2)cc1.CCCOc1c(Cl)cc(C(C)(C)c2ccc(CCc3ocnc3S(C)(=O)=O)cc2)cc1Cl.CCCOc1c(Cl)cc(C(C)(C)c2ccc(OC(C)c3ocnc3S(C)(=O)=O)cc2)cc1Cl.CCCOc1c(Cl)cc(C(C)(C)c2ccc(OCc3oc(C)nc3S(C)(=O)=O)cc2)cc1Cl.CCCOc1c(Cl)cc(N(c2ccc(OCc3ocnc3S(C)(=O)=O)cc2)C(C)(C)C)cc1Cl.

What is the InChIKey of N-tert-butyl-3,5-dichloro-N-[4-[(4-methylsulfonyl-1,3-oxazol-5-yl)methoxy]phenyl]-4-propoxyaniline;4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]-N-[2-methyl-4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-oxazol-5-yl]benzamide;5-[1-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole;5-[2-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenyl]ethyl]-4-methylsulfonyl-1,3-oxazole?

The InChIKey is VBPHSDBNRVWVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl3N2O4S.C24H28Cl2N2O5S.2C24H27Cl2NO5S.C24H27Cl2NO4S/c1-14-28-23(34(4,5)31)22(33-14)29-21(30)15-6-8-16(9-7-15)24(2,3)17-12-18(26)20(19(27)13-17)32-11-10-25;1-6-11-31-22-19(25)12-17(13-20(22)26)28(24(2,3)4)16-7-9-18(10-8-16)32-14-21-23(27-15-33-21)34(5,29)30;1-6-11-30-22-19(25)12-17(13-20(22)26)24(3,4)16-7-9-18(10-8-16)32-15(2)21-23(27-14-31-21)33(5,28)29;1-6-11-30-22-19(25)12-17(13-20(22)26)24(3,4)16-7-9-18(10-8-16)31-14-21-23(33(5,28)29)27-15(2)32-21;1-5-12-30-22-19(25)13-18(14-20(22)26)24(2,3)17-9-6-16(7-10-17)8-11-21-23(27-15-31-21)32(4,28)29/h6-9,12-13H,4,10-11H2,1-3,5H3,(H,29,30);7-10,12-13,15H,6,11,14H2,1-5H3;7-10,12-15H,6,11H2,1-5H3;7-10,12-13H,6,11,14H2,1-5H3;6-7,9-10,13-15H,5,8,11-12H2,1-4H3.

What are the key properties of N-tert-butyl-3,5-dichloro-N-[4-[(4-methylsulfonyl-1,3-oxazol-5-yl)methoxy]phenyl]-4-propoxyaniline;4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]-N-[2-methyl-4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-oxazol-5-yl]benzamide;5-[1-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole;5-[2-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenyl]ethyl]-4-methylsulfonyl-1,3-oxazole?

N-tert-butyl-3,5-dichloro-N-[4-[(4-methylsulfonyl-1,3-oxazol-5-yl)methoxy]phenyl]-4-propoxyaniline;4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]-N-[2-methyl-4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-oxazol-5-yl]benzamide;5-[1-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole;5-[2-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenyl]ethyl]-4-methylsulfonyl-1,3-oxazole has a molecular weight of 2592.74 g/mol, XLogP of 32.19, 44 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3,5-dichloro-N-[4-[(4-methylsulfonyl-1,3-oxazol-5-yl)methoxy]phenyl]-4-propoxyaniline;4-[2-[3,5-dichloro-4-(2-chloroethoxy)phenyl]propan-2-yl]-N-[2-methyl-4-(methyl-methylidene-oxo-λ6-sulfanyl)-1,3-oxazol-5-yl]benzamide;5-[1-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]ethyl]-4-methylsulfonyl-1,3-oxazole;5-[[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenoxy]methyl]-2-methyl-4-methylsulfonyl-1,3-oxazole;5-[2-[4-[2-(3,5-dichloro-4-propoxyphenyl)propan-2-yl]phenyl]ethyl]-4-methylsulfonyl-1,3-oxazole is sourced from PubChem (CID 161253596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).