(3S)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one

C11H11NO2 — CID 57467834

IUPAC(3S)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one
SMILESCC1=N[C@@H](c2ccccc2)COC1=O
InChIInChI=1S/C11H11NO2/c1-8-11(13)14-7-10(12-8)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-/m1/s1
InChIKeyDYSZWOYMQJTNEO-SNVBAGLBSA-N
MW189.21 g/mol
LogP1.75
Rot. Bonds1

About (3S)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one

(3S)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one (PubChem CID 57467834) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (3S)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one.

Molecular Properties

Compound Name(3S)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one
PubChem CID57467834
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(3S)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one
SMILESCC1=N[C@@H](c2ccccc2)COC1=O
InChIInChI=1S/C11H11NO2/c1-8-11(13)14-7-10(12-8)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-/m1/s1
InChIKeyDYSZWOYMQJTNEO-SNVBAGLBSA-N
XLogP1.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one?
The IUPAC name of (3S)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one (CID 57467834) is (3S)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one.
What is the SMILES notation for (3S)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one?
The canonical SMILES for (3S)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one is CC1=N[C@@H](c2ccccc2)COC1=O.
What is the InChIKey of (3S)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one?
The InChIKey is DYSZWOYMQJTNEO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-11(13)14-7-10(12-8)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-/m1/s1.
What are the key properties of (3S)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one?
(3S)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one has a molecular weight of 189.21 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methyl-3-phenyl-2,3-dihydro-1,4-oxazin-6-one is sourced from PubChem (CID 57467834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).