[4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate

C24H19F2NO4 — CID 10971914

IUPAC[4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cc1
InChIInChI=1S/C24H19F2NO4/c1-2-29-24(28)31-18-12-10-16(11-13-18)15-6-8-17(9-7-15)21-14-30-23(27-21)22-19(25)4-3-5-20(22)26/h3-13,21H,2,14H2,1H3
InChIKeySVPJKQGXEWKIFN-UHFFFAOYSA-N
MW423.42 g/mol
LogP5.69
Rot. Bonds5

About [4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate

[4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate (PubChem CID 10971914) has the molecular formula C24H19F2NO4 and a molecular weight of 423.42 g/mol. Its IUPAC name is [4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate
PubChem CID10971914
Molecular FormulaC24H19F2NO4
Molecular Weight423.42 g/mol
Exact Mass423.13
IUPAC Name[4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cc1
InChIInChI=1S/C24H19F2NO4/c1-2-29-24(28)31-18-12-10-16(11-13-18)15-6-8-17(9-7-15)21-14-30-23(27-21)22-19(25)4-3-5-20(22)26/h3-13,21H,2,14H2,1H3
InChIKeySVPJKQGXEWKIFN-UHFFFAOYSA-N
XLogP5.69
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.42
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze [4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate 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 [4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate?
The IUPAC name of [4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate (CID 10971914) is [4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate.
What is the SMILES notation for [4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate?
The canonical SMILES for [4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate is CCOC(=O)Oc1ccc(-c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)cc1.
What is the InChIKey of [4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate?
The InChIKey is SVPJKQGXEWKIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2NO4/c1-2-29-24(28)31-18-12-10-16(11-13-18)15-6-8-17(9-7-15)21-14-30-23(27-21)22-19(25)4-3-5-20(22)26/h3-13,21H,2,14H2,1H3.
What are the key properties of [4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate?
[4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate has a molecular weight of 423.42 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] ethyl carbonate is sourced from PubChem (CID 10971914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).