3-[1-(2-fluorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

C13H14FN3O2 — CID 136551564

IUPAC3-[1-(2-fluorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCC(Oc1ccccc1F)c1nnc2n1CCOC2
InChIInChI=1S/C13H14FN3O2/c1-9(19-11-5-3-2-4-10(11)14)13-16-15-12-8-18-7-6-17(12)13/h2-5,9H,6-8H2,1H3
InChIKeyZQYOGFVZGAEHIG-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.09
Rot. Bonds3

About 3-[1-(2-fluorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

3-[1-(2-fluorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (PubChem CID 136551564) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 3-[1-(2-fluorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.

Molecular Properties

Compound Name3-[1-(2-fluorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
PubChem CID136551564
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name3-[1-(2-fluorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCC(Oc1ccccc1F)c1nnc2n1CCOC2
InChIInChI=1S/C13H14FN3O2/c1-9(19-11-5-3-2-4-10(11)14)13-16-15-12-8-18-7-6-17(12)13/h2-5,9H,6-8H2,1H3
InChIKeyZQYOGFVZGAEHIG-UHFFFAOYSA-N
XLogP2.09
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The IUPAC name of 3-[1-(2-fluorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (CID 136551564) is 3-[1-(2-fluorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.
What is the SMILES notation for 3-[1-(2-fluorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The canonical SMILES for 3-[1-(2-fluorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is CC(Oc1ccccc1F)c1nnc2n1CCOC2.
What is the InChIKey of 3-[1-(2-fluorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The InChIKey is ZQYOGFVZGAEHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-9(19-11-5-3-2-4-10(11)14)13-16-15-12-8-18-7-6-17(12)13/h2-5,9H,6-8H2,1H3.
What are the key properties of 3-[1-(2-fluorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
3-[1-(2-fluorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine has a molecular weight of 263.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenoxy)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is sourced from PubChem (CID 136551564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).