5-phenyl-4H-1,3-oxazine

C10H9NO — CID 141033738

IUPAC5-phenyl-4H-1,3-oxazine
SMILESC1=NCC(c2ccccc2)=CO1
InChIInChI=1S/C10H9NO/c1-2-4-9(5-3-1)10-6-11-8-12-7-10/h1-5,7-8H,6H2
InChIKeyINOVJXWCWVOVLC-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.09
Rot. Bonds1

About 5-phenyl-4H-1,3-oxazine

5-phenyl-4H-1,3-oxazine (PubChem CID 141033738) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-phenyl-4H-1,3-oxazine.

Molecular Properties

Compound Name5-phenyl-4H-1,3-oxazine
PubChem CID141033738
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5-phenyl-4H-1,3-oxazine
SMILESC1=NCC(c2ccccc2)=CO1
InChIInChI=1S/C10H9NO/c1-2-4-9(5-3-1)10-6-11-8-12-7-10/h1-5,7-8H,6H2
InChIKeyINOVJXWCWVOVLC-UHFFFAOYSA-N
XLogP2.09
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4H-1,3-oxazine?
The IUPAC name of 5-phenyl-4H-1,3-oxazine (CID 141033738) is 5-phenyl-4H-1,3-oxazine.
What is the SMILES notation for 5-phenyl-4H-1,3-oxazine?
The canonical SMILES for 5-phenyl-4H-1,3-oxazine is C1=NCC(c2ccccc2)=CO1.
What is the InChIKey of 5-phenyl-4H-1,3-oxazine?
The InChIKey is INOVJXWCWVOVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-4-9(5-3-1)10-6-11-8-12-7-10/h1-5,7-8H,6H2.
What are the key properties of 5-phenyl-4H-1,3-oxazine?
5-phenyl-4H-1,3-oxazine has a molecular weight of 159.19 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4H-1,3-oxazine is sourced from PubChem (CID 141033738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).