[2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate

C24H16F2N2O4 — CID 24518985

IUPAC[2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)OCC(=O)c4ccc(F)cc4F)cc3)o2)cc1
InChIInChI=1S/C24H16F2N2O4/c1-14-2-4-15(5-3-14)22-27-28-23(32-22)16-6-8-17(9-7-16)24(30)31-13-21(29)19-11-10-18(25)12-20(19)26/h2-12H,13H2,1H3
InChIKeyGXIHIYQRYWKZGK-UHFFFAOYSA-N
MW434.40 g/mol
LogP5.03
Rot. Bonds6

About [2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate

[2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate (PubChem CID 24518985) has the molecular formula C24H16F2N2O4 and a molecular weight of 434.40 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
PubChem CID24518985
Molecular FormulaC24H16F2N2O4
Molecular Weight434.40 g/mol
Exact Mass434.11
IUPAC Name[2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)OCC(=O)c4ccc(F)cc4F)cc3)o2)cc1
InChIInChI=1S/C24H16F2N2O4/c1-14-2-4-15(5-3-14)22-27-28-23(32-22)16-6-8-17(9-7-16)24(30)31-13-21(29)19-11-10-18(25)12-20(19)26/h2-12H,13H2,1H3
InChIKeyGXIHIYQRYWKZGK-UHFFFAOYSA-N
XLogP5.03
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.40
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate 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 [2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?
The IUPAC name of [2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate (CID 24518985) is [2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate.
What is the SMILES notation for [2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?
The canonical SMILES for [2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate is Cc1ccc(-c2nnc(-c3ccc(C(=O)OCC(=O)c4ccc(F)cc4F)cc3)o2)cc1.
What is the InChIKey of [2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?
The InChIKey is GXIHIYQRYWKZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N2O4/c1-14-2-4-15(5-3-14)22-27-28-23(32-22)16-6-8-17(9-7-16)24(30)31-13-21(29)19-11-10-18(25)12-20(19)26/h2-12H,13H2,1H3.
What are the key properties of [2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate?
[2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate has a molecular weight of 434.40 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate is sourced from PubChem (CID 24518985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).