3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole

C21H16FNO3 — CID 91516612

IUPAC3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccccc1OC1=CC(c2ccc(Oc3ccccc3)cc2)ON1
InChIInChI=1S/C21H16FNO3/c22-18-8-4-5-9-19(18)25-21-14-20(26-23-21)15-10-12-17(13-11-15)24-16-6-2-1-3-7-16/h1-14,20,23H
InChIKeyITHYHXPPCBEBBX-UHFFFAOYSA-N
MW349.36 g/mol
LogP5.11
Rot. Bonds5

About 3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole

3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 91516612) has the molecular formula C21H16FNO3 and a molecular weight of 349.36 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole
PubChem CID91516612
Molecular FormulaC21H16FNO3
Molecular Weight349.36 g/mol
Exact Mass349.11
IUPAC Name3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccccc1OC1=CC(c2ccc(Oc3ccccc3)cc2)ON1
InChIInChI=1S/C21H16FNO3/c22-18-8-4-5-9-19(18)25-21-14-20(26-23-21)15-10-12-17(13-11-15)24-16-6-2-1-3-7-16/h1-14,20,23H
InChIKeyITHYHXPPCBEBBX-UHFFFAOYSA-N
XLogP5.11
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.36
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole (CID 91516612) is 3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole is Fc1ccccc1OC1=CC(c2ccc(Oc3ccccc3)cc2)ON1.
What is the InChIKey of 3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is ITHYHXPPCBEBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO3/c22-18-8-4-5-9-19(18)25-21-14-20(26-23-21)15-10-12-17(13-11-15)24-16-6-2-1-3-7-16/h1-14,20,23H.
What are the key properties of 3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole?
3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 349.36 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-5-(4-phenoxyphenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91516612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).