2-[[3-[2-[2-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2-benzoxazol-6-yl]oxy]acetic acid;3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-[3-methyl-4-(2-oxopropoxy)phenyl]propan-1-one;3-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-3-methylbutan-2-one;3-methyl-3-[2-methyl-4-[3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoyl]phenoxy]butan-2-one;1-[3-methyl-4-(2-oxopropoxy)phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one

C131H139ClF6N6O17S4 — CID 158348474

About 2-[[3-[2-[2-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2-benzoxazol-6-yl]oxy]acetic acid;3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-[3-methyl-4-(2-oxopropoxy)phenyl]propan-1-one;3-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-3-methylbutan-2-one;3-methyl-3-[2-methyl-4-[3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoyl]phenoxy]butan-2-one;1-[3-methyl-4-(2-oxopropoxy)phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one

2-[[3-[2-[2-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2-benzoxazol-6-yl]oxy]acetic acid;3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-[3-methyl-4-(2-oxopropoxy)phenyl]propan-1-one;3-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-3-methylbutan-2-one;3-methyl-3-[2-methyl-4-[3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoyl]phenoxy]butan-2-one;1-[3-methyl-4-(2-oxopropoxy)phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one (PubChem CID 158348474) has the molecular formula C131H139ClF6N6O17S4 and a molecular weight of 2347.29 g/mol. Its IUPAC name is 2-[[3-[2-[2-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2-benzoxazol-6-yl]oxy]acetic acid;3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-[3-methyl-4-(2-oxopropoxy)phenyl]propan-1-one;3-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-3-methylbutan-2-one;3-methyl-3-[2-methyl-4-[3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoyl]phenoxy]butan-2-one;1-[3-methyl-4-(2-oxopropoxy)phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-[[3-[2-[2-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2-benzoxazol-6-yl]oxy]acetic acid;3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-[3-methyl-4-(2-oxopropoxy)phenyl]propan-1-one;3-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-3-methylbutan-2-one;3-methyl-3-[2-methyl-4-[3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoyl]phenoxy]butan-2-one;1-[3-methyl-4-(2-oxopropoxy)phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one
• PubChem CID: 158348474
• Molecular Formula: C131H139ClF6N6O17S4
• Molecular Weight: 2347.29 g/mol
• Exact Mass: 2344.87
• IUPAC Name: 2-[[3-[2-[2-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2-benzoxazol-6-yl]oxy]acetic acid;3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-[3-methyl-4-(2-oxopropoxy)phenyl]propan-1-one;3-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-3-methylbutan-2-one;3-methyl-3-[2-methyl-4-[3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoyl]phenoxy]butan-2-one;1-[3-methyl-4-(2-oxopropoxy)phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one
• SMILES: CC(=O)C(C)(C)Oc1ccc(C(=O)CCc2sc(-c3ccc(C)cc3)nc2C(C)C)cc1C.CC(=O)COc1ccc(C(=O)CCc2sc(-c3ccc(C)cc3)nc2C(C)C)cc1C.CCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCC(=O)c1ccc(OC(C)(C)C(C)=O)c(C)c1.CCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCC(=O)c1ccc(OCC(C)=O)c(C)c1.Cc1ccc(-c2nc(CCc3noc4cc(OCC(=O)O)c(C)cc34)c(C(C)C)o2)c(Cl)c1
• InChI: InChI=1S/C28H33NO3S.C27H28F3NO3S.C26H29NO3S.C25H25ClN2O5.C25H24F3NO3S/c1-17(2)26-25(33-27(29-26)21-10-8-18(3)9-11-21)15-13-23(31)22-12-14-24(19(4)16-22)32-28(6,7)20(5)30;1-6-21-24(35-25(31-21)18-7-10-20(11-8-18)27(28,29)30)14-12-22(33)19-9-13-23(16(2)15-19)34-26(4,5)17(3)32;1-16(2)25-24(31-26(27-25)20-8-6-17(3)7-9-20)13-11-22(29)21-10-12-23(18(4)14-21)30-15-19(5)28;1-13(2)24-20(27-25(32-24)16-6-5-14(3)9-18(16)26)8-7-19-17-10-15(4)21(31-12-23(29)30)11-22(17)33-28-19;1-4-20-23(33-24(29-20)17-5-8-19(9-6-17)25(26,27)28)12-10-21(31)18-7-11-22(15(2)13-18)32-14-16(3)30/h8-12,14,16-17H,13,15H2,1-7H3;7-11,13,15H,6,12,14H2,1-5H3;6-10,12,14,16H,11,13,15H2,1-5H3;5-6,9-11,13H,7-8,12H2,1-4H3,(H,29,30);5-9,11,13H,4,10,12,14H2,1-3H3
• InChIKey: GSAHBMHQFVXYCV-UHFFFAOYSA-N
• XLogP: 33.32
• TPSA: 323.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 44
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2347.29
LogP ≤ 5	33.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-[2-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2-benzoxazol-6-yl]oxy]acetic acid;3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-[3-methyl-4-(2-oxopropoxy)phenyl]propan-1-one;3-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-3-methylbutan-2-one;3-methyl-3-[2-methyl-4-[3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoyl]phenoxy]butan-2-one;1-[3-methyl-4-(2-oxopropoxy)phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one?

The IUPAC name of 2-[[3-[2-[2-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2-benzoxazol-6-yl]oxy]acetic acid;3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-[3-methyl-4-(2-oxopropoxy)phenyl]propan-1-one;3-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-3-methylbutan-2-one;3-methyl-3-[2-methyl-4-[3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoyl]phenoxy]butan-2-one;1-[3-methyl-4-(2-oxopropoxy)phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one (CID 158348474) is 2-[[3-[2-[2-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2-benzoxazol-6-yl]oxy]acetic acid;3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-[3-methyl-4-(2-oxopropoxy)phenyl]propan-1-one;3-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-3-methylbutan-2-one;3-methyl-3-[2-methyl-4-[3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoyl]phenoxy]butan-2-one;1-[3-methyl-4-(2-oxopropoxy)phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one.

What is the SMILES notation for 2-[[3-[2-[2-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2-benzoxazol-6-yl]oxy]acetic acid;3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-[3-methyl-4-(2-oxopropoxy)phenyl]propan-1-one;3-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-3-methylbutan-2-one;3-methyl-3-[2-methyl-4-[3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoyl]phenoxy]butan-2-one;1-[3-methyl-4-(2-oxopropoxy)phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one?

The canonical SMILES for 2-[[3-[2-[2-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2-benzoxazol-6-yl]oxy]acetic acid;3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-[3-methyl-4-(2-oxopropoxy)phenyl]propan-1-one;3-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-3-methylbutan-2-one;3-methyl-3-[2-methyl-4-[3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoyl]phenoxy]butan-2-one;1-[3-methyl-4-(2-oxopropoxy)phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one is CC(=O)C(C)(C)Oc1ccc(C(=O)CCc2sc(-c3ccc(C)cc3)nc2C(C)C)cc1C.CC(=O)COc1ccc(C(=O)CCc2sc(-c3ccc(C)cc3)nc2C(C)C)cc1C.CCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCC(=O)c1ccc(OC(C)(C)C(C)=O)c(C)c1.CCc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCC(=O)c1ccc(OCC(C)=O)c(C)c1.Cc1ccc(-c2nc(CCc3noc4cc(OCC(=O)O)c(C)cc34)c(C(C)C)o2)c(Cl)c1.

What is the InChIKey of 2-[[3-[2-[2-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2-benzoxazol-6-yl]oxy]acetic acid;3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-[3-methyl-4-(2-oxopropoxy)phenyl]propan-1-one;3-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-3-methylbutan-2-one;3-methyl-3-[2-methyl-4-[3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoyl]phenoxy]butan-2-one;1-[3-methyl-4-(2-oxopropoxy)phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one?

The InChIKey is GSAHBMHQFVXYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3S.C27H28F3NO3S.C26H29NO3S.C25H25ClN2O5.C25H24F3NO3S/c1-17(2)26-25(33-27(29-26)21-10-8-18(3)9-11-21)15-13-23(31)22-12-14-24(19(4)16-22)32-28(6,7)20(5)30;1-6-21-24(35-25(31-21)18-7-10-20(11-8-18)27(28,29)30)14-12-22(33)19-9-13-23(16(2)15-19)34-26(4,5)17(3)32;1-16(2)25-24(31-26(27-25)20-8-6-17(3)7-9-20)13-11-22(29)21-10-12-23(18(4)14-21)30-15-19(5)28;1-13(2)24-20(27-25(32-24)16-6-5-14(3)9-18(16)26)8-7-19-17-10-15(4)21(31-12-23(29)30)11-22(17)33-28-19;1-4-20-23(33-24(29-20)17-5-8-19(9-6-17)25(26,27)28)12-10-21(31)18-7-11-22(15(2)13-18)32-14-16(3)30/h8-12,14,16-17H,13,15H2,1-7H3;7-11,13,15H,6,12,14H2,1-5H3;6-10,12,14,16H,11,13,15H2,1-5H3;5-6,9-11,13H,7-8,12H2,1-4H3,(H,29,30);5-9,11,13H,4,10,12,14H2,1-3H3.

What are the key properties of 2-[[3-[2-[2-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2-benzoxazol-6-yl]oxy]acetic acid;3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-[3-methyl-4-(2-oxopropoxy)phenyl]propan-1-one;3-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-3-methylbutan-2-one;3-methyl-3-[2-methyl-4-[3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoyl]phenoxy]butan-2-one;1-[3-methyl-4-(2-oxopropoxy)phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one?

2-[[3-[2-[2-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2-benzoxazol-6-yl]oxy]acetic acid;3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-[3-methyl-4-(2-oxopropoxy)phenyl]propan-1-one;3-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-3-methylbutan-2-one;3-methyl-3-[2-methyl-4-[3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoyl]phenoxy]butan-2-one;1-[3-methyl-4-(2-oxopropoxy)phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one has a molecular weight of 2347.29 g/mol, XLogP of 33.32, 44 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[2-[2-(2-chloro-4-methylphenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl]-5-methyl-1,2-benzoxazol-6-yl]oxy]acetic acid;3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-1-[3-methyl-4-(2-oxopropoxy)phenyl]propan-1-one;3-[4-[3-[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoyl]-2-methylphenoxy]-3-methylbutan-2-one;3-methyl-3-[2-methyl-4-[3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propanoyl]phenoxy]butan-2-one;1-[3-methyl-4-(2-oxopropoxy)phenyl]-3-[2-(4-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]propan-1-one is sourced from PubChem (CID 158348474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).