5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid

C23H17F6N3O4 — CID 44547709

IUPAC5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21
InChIInChI=1S/C23H17F6N3O4/c24-22(25,26)15-9-14(10-16(11-15)23(27,28)29)21-30-20(31-36-21)13-4-5-17-12(8-13)6-7-32(17)18(33)2-1-3-19(34)35/h4-5,8-11H,1-3,6-7H2,(H,34,35)
InChIKeyVVAOSIRKIPIEJD-UHFFFAOYSA-N
MW513.39 g/mol
LogP5.59
Rot. Bonds6

About 5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid

5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid (PubChem CID 44547709) has the molecular formula C23H17F6N3O4 and a molecular weight of 513.39 g/mol. Its IUPAC name is 5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
PubChem CID44547709
Molecular FormulaC23H17F6N3O4
Molecular Weight513.39 g/mol
Exact Mass513.11
IUPAC Name5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21
InChIInChI=1S/C23H17F6N3O4/c24-22(25,26)15-9-14(10-16(11-15)23(27,28)29)21-30-20(31-36-21)13-4-5-17-12(8-13)6-7-32(17)18(33)2-1-3-19(34)35/h4-5,8-11H,1-3,6-7H2,(H,34,35)
InChIKeyVVAOSIRKIPIEJD-UHFFFAOYSA-N
XLogP5.59
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.39
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid (CID 44547709) is 5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid is O=C(O)CCCC(=O)N1CCc2cc(-c3noc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)ccc21.
What is the InChIKey of 5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid?
The InChIKey is VVAOSIRKIPIEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N3O4/c24-22(25,26)15-9-14(10-16(11-15)23(27,28)29)21-30-20(31-36-21)13-4-5-17-12(8-13)6-7-32(17)18(33)2-1-3-19(34)35/h4-5,8-11H,1-3,6-7H2,(H,34,35).
What are the key properties of 5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid?
5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid has a molecular weight of 513.39 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 44547709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).