6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

C18H13FN6O2 — CID 91889327

IUPAC6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESFc1ccc(C2Cn3nnc(-c4nc(-c5ccccn5)no4)c3CO2)cc1
InChIInChI=1S/C18H13FN6O2/c19-12-6-4-11(5-7-12)15-9-25-14(10-26-15)16(22-24-25)18-21-17(23-27-18)13-3-1-2-8-20-13/h1-8,15H,9-10H2
InChIKeyWKFLPBCOGOVYNJ-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.80
Rot. Bonds3

About 6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 91889327) has the molecular formula C18H13FN6O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID91889327
Molecular FormulaC18H13FN6O2
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC Name6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESFc1ccc(C2Cn3nnc(-c4nc(-c5ccccn5)no4)c3CO2)cc1
InChIInChI=1S/C18H13FN6O2/c19-12-6-4-11(5-7-12)15-9-25-14(10-26-15)16(22-24-25)18-21-17(23-27-18)13-3-1-2-8-20-13/h1-8,15H,9-10H2
InChIKeyWKFLPBCOGOVYNJ-UHFFFAOYSA-N
XLogP2.80
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The IUPAC name of 6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 91889327) is 6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is Fc1ccc(C2Cn3nnc(-c4nc(-c5ccccn5)no4)c3CO2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is WKFLPBCOGOVYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2/c19-12-6-4-11(5-7-12)15-9-25-14(10-26-15)16(22-24-25)18-21-17(23-27-18)13-3-1-2-8-20-13/h1-8,15H,9-10H2.
What are the key properties of 6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 364.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 91889327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).