2-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole

C23H27F2NO2 — CID 15007796

IUPAC2-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCOc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C23H27F2NO2/c1-2-3-4-5-6-7-15-27-18-13-11-17(12-14-18)21-16-28-23(26-21)22-19(24)9-8-10-20(22)25/h8-14,21H,2-7,15-16H2,1H3
InChIKeyRMDVAYOVBLTWRV-UHFFFAOYSA-N
MW387.47 g/mol
LogP6.22
Rot. Bonds10

About 2-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 15007796) has the molecular formula C23H27F2NO2 and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID15007796
Molecular FormulaC23H27F2NO2
Molecular Weight387.47 g/mol
Exact Mass387.20
IUPAC Name2-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCOc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C23H27F2NO2/c1-2-3-4-5-6-7-15-27-18-13-11-17(12-14-18)21-16-28-23(26-21)22-19(24)9-8-10-20(22)25/h8-14,21H,2-7,15-16H2,1H3
InChIKeyRMDVAYOVBLTWRV-UHFFFAOYSA-N
XLogP6.22
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.47
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole 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-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole (CID 15007796) is 2-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole is CCCCCCCCOc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is RMDVAYOVBLTWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2NO2/c1-2-3-4-5-6-7-15-27-18-13-11-17(12-14-18)21-16-28-23(26-21)22-19(24)9-8-10-20(22)25/h8-14,21H,2-7,15-16H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 387.47 g/mol, XLogP of 6.22, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(4-octoxyphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15007796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).