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

C19H14FN5O2 — CID 91889322

IUPAC6-(4-fluorophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESFc1ccc(C2Cn3nnc(-c4nc(-c5ccccc5)no4)c3CO2)cc1
InChIInChI=1S/C19H14FN5O2/c20-14-8-6-12(7-9-14)16-10-25-15(11-26-16)17(22-24-25)19-21-18(23-27-19)13-4-2-1-3-5-13/h1-9,16H,10-11H2
InChIKeyHFHPEMNVSWKPQV-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.41
Rot. Bonds3

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

6-(4-fluorophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 91889322) has the molecular formula C19H14FN5O2 and a molecular weight of 363.35 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-(3-phenyl-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-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID91889322
Molecular FormulaC19H14FN5O2
Molecular Weight363.35 g/mol
Exact Mass363.11
IUPAC Name6-(4-fluorophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESFc1ccc(C2Cn3nnc(-c4nc(-c5ccccc5)no4)c3CO2)cc1
InChIInChI=1S/C19H14FN5O2/c20-14-8-6-12(7-9-14)16-10-25-15(11-26-16)17(22-24-25)19-21-18(23-27-19)13-4-2-1-3-5-13/h1-9,16H,10-11H2
InChIKeyHFHPEMNVSWKPQV-UHFFFAOYSA-N
XLogP3.41
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-(3-phenyl-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-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 91889322) is 6-(4-fluorophenyl)-3-(3-phenyl-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-phenyl-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-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is Fc1ccc(C2Cn3nnc(-c4nc(-c5ccccc5)no4)c3CO2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is HFHPEMNVSWKPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2/c20-14-8-6-12(7-9-14)16-10-25-15(11-26-16)17(22-24-25)19-21-18(23-27-19)13-4-2-1-3-5-13/h1-9,16H,10-11H2.
What are the key properties of 6-(4-fluorophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
6-(4-fluorophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 363.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 91889322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).