8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one

C15H8FN3O2 — CID 132607306

IUPAC8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one
SMILESO=c1oc2c(-c3ccccc3)nnn2c2cc(F)ccc12
InChIInChI=1S/C15H8FN3O2/c16-10-6-7-11-12(8-10)19-14(21-15(11)20)13(17-18-19)9-4-2-1-3-5-9/h1-8H
InChIKeyVVLIEYBZEQFGSI-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.64
Rot. Bonds1

About 8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one

8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one (PubChem CID 132607306) has the molecular formula C15H8FN3O2 and a molecular weight of 281.25 g/mol. Its IUPAC name is 8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one.

Molecular Properties

Compound Name8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one
PubChem CID132607306
Molecular FormulaC15H8FN3O2
Molecular Weight281.25 g/mol
Exact Mass281.06
IUPAC Name8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one
SMILESO=c1oc2c(-c3ccccc3)nnn2c2cc(F)ccc12
InChIInChI=1S/C15H8FN3O2/c16-10-6-7-11-12(8-10)19-14(21-15(11)20)13(17-18-19)9-4-2-1-3-5-9/h1-8H
InChIKeyVVLIEYBZEQFGSI-UHFFFAOYSA-N
XLogP2.64
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one?
The IUPAC name of 8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one (CID 132607306) is 8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one.
What is the SMILES notation for 8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one?
The canonical SMILES for 8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one is O=c1oc2c(-c3ccccc3)nnn2c2cc(F)ccc12.
What is the InChIKey of 8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one?
The InChIKey is VVLIEYBZEQFGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FN3O2/c16-10-6-7-11-12(8-10)19-14(21-15(11)20)13(17-18-19)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one?
8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one has a molecular weight of 281.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-phenyltriazolo[1,5-a][3,1]benzoxazin-5-one is sourced from PubChem (CID 132607306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).