3-methyl-5-phenyl-2H-1,4-oxazine

C11H11NO — CID 12781824

IUPAC3-methyl-5-phenyl-2H-1,4-oxazine
SMILESCC1=NC(c2ccccc2)=COC1
InChIInChI=1S/C11H11NO/c1-9-7-13-8-11(12-9)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyQVQFYNBEUWADMO-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.48
Rot. Bonds1

About 3-methyl-5-phenyl-2H-1,4-oxazine

3-methyl-5-phenyl-2H-1,4-oxazine (PubChem CID 12781824) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-methyl-5-phenyl-2H-1,4-oxazine.

Molecular Properties

Compound Name3-methyl-5-phenyl-2H-1,4-oxazine
PubChem CID12781824
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3-methyl-5-phenyl-2H-1,4-oxazine
SMILESCC1=NC(c2ccccc2)=COC1
InChIInChI=1S/C11H11NO/c1-9-7-13-8-11(12-9)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyQVQFYNBEUWADMO-UHFFFAOYSA-N
XLogP2.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-2H-1,4-oxazine?
The IUPAC name of 3-methyl-5-phenyl-2H-1,4-oxazine (CID 12781824) is 3-methyl-5-phenyl-2H-1,4-oxazine.
What is the SMILES notation for 3-methyl-5-phenyl-2H-1,4-oxazine?
The canonical SMILES for 3-methyl-5-phenyl-2H-1,4-oxazine is CC1=NC(c2ccccc2)=COC1.
What is the InChIKey of 3-methyl-5-phenyl-2H-1,4-oxazine?
The InChIKey is QVQFYNBEUWADMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-9-7-13-8-11(12-9)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 3-methyl-5-phenyl-2H-1,4-oxazine?
3-methyl-5-phenyl-2H-1,4-oxazine has a molecular weight of 173.21 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-2H-1,4-oxazine is sourced from PubChem (CID 12781824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).