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

C23H19F2NO2 — CID 15279928

IUPAC2-(2,6-difluorophenyl)-4-[[4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(-c2ccc(OCC3COC(c4c(F)cccc4F)=N3)cc2)cc1
InChIInChI=1S/C23H19F2NO2/c1-15-5-7-16(8-6-15)17-9-11-19(12-10-17)27-13-18-14-28-23(26-18)22-20(24)3-2-4-21(22)25/h2-12,18H,13-14H2,1H3
InChIKeyCYUFIUCMCSDZKI-UHFFFAOYSA-N
MW379.41 g/mol
LogP5.16
Rot. Bonds5

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

2-(2,6-difluorophenyl)-4-[[4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 15279928) has the molecular formula C23H19F2NO2 and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[[4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[[4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazole
PubChem CID15279928
Molecular FormulaC23H19F2NO2
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name2-(2,6-difluorophenyl)-4-[[4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(-c2ccc(OCC3COC(c4c(F)cccc4F)=N3)cc2)cc1
InChIInChI=1S/C23H19F2NO2/c1-15-5-7-16(8-6-15)17-9-11-19(12-10-17)27-13-18-14-28-23(26-18)22-20(24)3-2-4-21(22)25/h2-12,18H,13-14H2,1H3
InChIKeyCYUFIUCMCSDZKI-UHFFFAOYSA-N
XLogP5.16
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.41
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[[4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[[4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazole (CID 15279928) is 2-(2,6-difluorophenyl)-4-[[4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[[4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[[4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazole is Cc1ccc(-c2ccc(OCC3COC(c4c(F)cccc4F)=N3)cc2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[[4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is CYUFIUCMCSDZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO2/c1-15-5-7-16(8-6-15)17-9-11-19(12-10-17)27-13-18-14-28-23(26-18)22-20(24)3-2-4-21(22)25/h2-12,18H,13-14H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-[[4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[[4-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 379.41 g/mol, XLogP of 5.16, 5 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-(4-methylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15279928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).