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

C17H15F2NO2 — CID 14853219

IUPAC2-(2,6-difluorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCOc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C17H15F2NO2/c1-2-21-12-8-6-11(7-9-12)15-10-22-17(20-15)16-13(18)4-3-5-14(16)19/h3-9,15H,2,10H2,1H3
InChIKeyFVZDSFFIMQTOHE-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.88
Rot. Bonds4

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

2-(2,6-difluorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 14853219) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID14853219
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name2-(2,6-difluorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCOc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C17H15F2NO2/c1-2-21-12-8-6-11(7-9-12)15-10-22-17(20-15)16-13(18)4-3-5-14(16)19/h3-9,15H,2,10H2,1H3
InChIKeyFVZDSFFIMQTOHE-UHFFFAOYSA-N
XLogP3.88
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.88
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-ethoxyphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1,3-oxazole (CID 14853219) is 2-(2,6-difluorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1,3-oxazole is CCOc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is FVZDSFFIMQTOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2/c1-2-21-12-8-6-11(7-9-12)15-10-22-17(20-15)16-13(18)4-3-5-14(16)19/h3-9,15H,2,10H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-(4-ethoxyphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 303.31 g/mol, XLogP of 3.88, 4 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-ethoxyphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).