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

C10H9NO — CID 123924841

IUPAC5-phenyl-2H-1,4-oxazine
SMILESC1=NC(c2ccccc2)=COC1
InChIInChI=1S/C10H9NO/c1-2-4-9(5-3-1)10-8-12-7-6-11-10/h1-6,8H,7H2
InChIKeyGAAUKOFGBQYHTB-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.09
Rot. Bonds1

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

5-phenyl-2H-1,4-oxazine (PubChem CID 123924841) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-phenyl-2H-1,4-oxazine.

Molecular Properties

Compound Name5-phenyl-2H-1,4-oxazine
PubChem CID123924841
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5-phenyl-2H-1,4-oxazine
SMILESC1=NC(c2ccccc2)=COC1
InChIInChI=1S/C10H9NO/c1-2-4-9(5-3-1)10-8-12-7-6-11-10/h1-6,8H,7H2
InChIKeyGAAUKOFGBQYHTB-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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Related Compounds

6-Phenyl-3,4-dihydropyridine
CID 22751216
N-(methoxy-2-propylidene)benzylamine
CID 71604915
4,1-Benzoxazocine
CID 88841509
3-Methyl-5-phenyl-2H-1,4-oxazine
CID 12781824
(E)-[6-[(E)-1-phenylprop-1-enyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate
CID 134841892
(7E)-7-methoxy-8-phenyl-3,4,5,6-tetrahydroazocine
CID 134989630
(1R,6S)-4-phenyl-7-oxa-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 177854082
5-Fluoro-6-phenyl-3,4-dihydropyridine
CID 178060905
Bivdojuruikies-uhfffaoysa-
CID 13639552
N-(1-phenylethenyl)ethanimine
CID 13099168
N-(1-phenylethenyl)propan-1-imine
CID 13099169
7-phenyl-3H-azepine
CID 14610143

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2H-1,4-oxazine?
The IUPAC name of 5-phenyl-2H-1,4-oxazine (CID 123924841) is 5-phenyl-2H-1,4-oxazine.
What is the SMILES notation for 5-phenyl-2H-1,4-oxazine?
The canonical SMILES for 5-phenyl-2H-1,4-oxazine is C1=NC(c2ccccc2)=COC1.
What is the InChIKey of 5-phenyl-2H-1,4-oxazine?
The InChIKey is GAAUKOFGBQYHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-4-9(5-3-1)10-8-12-7-6-11-10/h1-6,8H,7H2.
What are the key properties of 5-phenyl-2H-1,4-oxazine?
5-phenyl-2H-1,4-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-2H-1,4-oxazine is sourced from PubChem (CID 123924841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).