2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenoxy)phenoxy]methyl]-4,5-dihydro-1,3-oxazole

C24H21F2NO3 — CID 19424076

IUPAC2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenoxy)phenoxy]methyl]-4,5-dihydro-1,3-oxazole
SMILESCCc1ccc(Oc2ccc(OCC3COC(c4c(F)cccc4F)=N3)cc2)cc1
InChIInChI=1S/C24H21F2NO3/c1-2-16-6-8-19(9-7-16)30-20-12-10-18(11-13-20)28-14-17-15-29-24(27-17)23-21(25)4-3-5-22(23)26/h3-13,17H,2,14-15H2,1H3
InChIKeyJBZYDMDAXRQAOX-UHFFFAOYSA-N
MW409.43 g/mol
LogP5.54
Rot. Bonds7

About 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenoxy)phenoxy]methyl]-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenoxy)phenoxy]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 19424076) has the molecular formula C24H21F2NO3 and a molecular weight of 409.43 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenoxy)phenoxy]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenoxy)phenoxy]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID19424076
Molecular FormulaC24H21F2NO3
Molecular Weight409.43 g/mol
Exact Mass409.15
IUPAC Name2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenoxy)phenoxy]methyl]-4,5-dihydro-1,3-oxazole
SMILESCCc1ccc(Oc2ccc(OCC3COC(c4c(F)cccc4F)=N3)cc2)cc1
InChIInChI=1S/C24H21F2NO3/c1-2-16-6-8-19(9-7-16)30-20-12-10-18(11-13-20)28-14-17-15-29-24(27-17)23-21(25)4-3-5-22(23)26/h3-13,17H,2,14-15H2,1H3
InChIKeyJBZYDMDAXRQAOX-UHFFFAOYSA-N
XLogP5.54
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.43
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenoxy)phenoxy]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenoxy)phenoxy]methyl]-4,5-dihydro-1,3-oxazole (CID 19424076) is 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenoxy)phenoxy]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenoxy)phenoxy]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenoxy)phenoxy]methyl]-4,5-dihydro-1,3-oxazole is CCc1ccc(Oc2ccc(OCC3COC(c4c(F)cccc4F)=N3)cc2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenoxy)phenoxy]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is JBZYDMDAXRQAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO3/c1-2-16-6-8-19(9-7-16)30-20-12-10-18(11-13-20)28-14-17-15-29-24(27-17)23-21(25)4-3-5-22(23)26/h3-13,17H,2,14-15H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenoxy)phenoxy]methyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenoxy)phenoxy]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 409.43 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[[4-(4-ethylphenoxy)phenoxy]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19424076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).