3-phenyl-1,4-oxazin-2-one

C10H7NO2 — CID 135005028

IUPAC3-phenyl-1,4-oxazin-2-one
SMILESO=c1occnc1-c1ccccc1
InChIInChI=1S/C10H7NO2/c12-10-9(11-6-7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKeyZKDHJUOSSJGMIF-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.70
Rot. Bonds1

About 3-phenyl-1,4-oxazin-2-one

3-phenyl-1,4-oxazin-2-one (PubChem CID 135005028) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-phenyl-1,4-oxazin-2-one.

Molecular Properties

Compound Name3-phenyl-1,4-oxazin-2-one
PubChem CID135005028
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name3-phenyl-1,4-oxazin-2-one
SMILESO=c1occnc1-c1ccccc1
InChIInChI=1S/C10H7NO2/c12-10-9(11-6-7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKeyZKDHJUOSSJGMIF-UHFFFAOYSA-N
XLogP1.70
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,4-oxazin-2-one?
The IUPAC name of 3-phenyl-1,4-oxazin-2-one (CID 135005028) is 3-phenyl-1,4-oxazin-2-one.
What is the SMILES notation for 3-phenyl-1,4-oxazin-2-one?
The canonical SMILES for 3-phenyl-1,4-oxazin-2-one is O=c1occnc1-c1ccccc1.
What is the InChIKey of 3-phenyl-1,4-oxazin-2-one?
The InChIKey is ZKDHJUOSSJGMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c12-10-9(11-6-7-13-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 3-phenyl-1,4-oxazin-2-one?
3-phenyl-1,4-oxazin-2-one has a molecular weight of 173.17 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,4-oxazin-2-one is sourced from PubChem (CID 135005028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).