[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetate

C46H38F6N4O5S — CID 91083136

About [5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetate

[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetate (PubChem CID 91083136) has the molecular formula C46H38F6N4O5S and a molecular weight of 872.89 g/mol. Its IUPAC name is [5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetate.

Molecular Properties

• Compound Name: [5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetate
• PubChem CID: 91083136
• Molecular Formula: C46H38F6N4O5S
• Molecular Weight: 872.89 g/mol
• Exact Mass: 872.25
• IUPAC Name: [5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetate
• SMILES: Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C(C)COc1ccc2[nH]cc(OC(=O)Cn3ccc4cc(OCC(C)c5nc(-c6ccc(C(F)(F)F)cc6)sc5C)ccc43)c2c1
• InChI: InChI=1S/C46H38F6N4O5S/c1-25(41-27(3)60-43(54-41)29-5-9-32(10-6-29)45(47,48)49)23-59-35-13-15-37-36(20-35)39(21-53-37)61-40(57)22-56-18-17-31-19-34(14-16-38(31)56)58-24-26(2)42-28(4)62-44(55-42)30-7-11-33(12-8-30)46(50,51)52/h5-21,25-26,53H,22-24H2,1-4H3
• InChIKey: AOAIAMUFQGAKQT-UHFFFAOYSA-N
• XLogP: 12.53
• TPSA: 104.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.89
LogP ≤ 5	12.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetate?

The IUPAC name of [5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetate (CID 91083136) is [5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetate.

What is the SMILES notation for [5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetate?

The canonical SMILES for [5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetate is Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C(C)COc1ccc2[nH]cc(OC(=O)Cn3ccc4cc(OCC(C)c5nc(-c6ccc(C(F)(F)F)cc6)sc5C)ccc43)c2c1.

What is the InChIKey of [5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetate?

The InChIKey is AOAIAMUFQGAKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38F6N4O5S/c1-25(41-27(3)60-43(54-41)29-5-9-32(10-6-29)45(47,48)49)23-59-35-13-15-37-36(20-35)39(21-53-37)61-40(57)22-56-18-17-31-19-34(14-16-38(31)56)58-24-26(2)42-28(4)62-44(55-42)30-7-11-33(12-8-30)46(50,51)52/h5-21,25-26,53H,22-24H2,1-4H3.

What are the key properties of [5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetate?

[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetate has a molecular weight of 872.89 g/mol, XLogP of 12.53, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]-1H-indol-3-yl] 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetate is sourced from PubChem (CID 91083136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).