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

C10H9NO2 — CID 10942968

IUPAC(3S)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one
SMILESO=C1C=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C10H9NO2/c12-10-6-11-9(7-13-10)8-4-2-1-3-5-8/h1-6,9H,7H2/t9-/m1/s1
InChIKeyDINGSFSTMYUIAU-SECBINFHSA-N
MW175.19 g/mol
LogP1.36
Rot. Bonds1

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

(3S)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one (PubChem CID 10942968) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is (3S)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one.

Molecular Properties

Compound Name(3S)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one
PubChem CID10942968
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name(3S)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one
SMILESO=C1C=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C10H9NO2/c12-10-6-11-9(7-13-10)8-4-2-1-3-5-8/h1-6,9H,7H2/t9-/m1/s1
InChIKeyDINGSFSTMYUIAU-SECBINFHSA-N
XLogP1.36
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Acetic acid, ((1-phenylethyl)imino)-, ethyl ester, (S)-
CID 11469797
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
Methyl (2E)-[(diphenylmethyl)imino]acetate
CID 12624354
2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
CID 11229989
(3S)-3-phenyl-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2,3-dihydro-1,4-oxazin-6-one
CID 134858529
4-Phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
CID 154720158
1-(1-Phenyl-2-acetoxyethyl)-1,2,5,6-tetrahydropyridine
CID 72745116
Acetic acid, 2-[[(1R)-1-phenylethyl]imino]-, ethyl ester
CID 10889034
Butyl 2-benzhydryliminoacetate
CID 10935313
Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (R)-
CID 11041847
(3S)-4-oxido-3-phenyl-2,3-dihydro-1,4-oxazin-4-ium-6-one
CID 11095432
(R)-3-Methyl-5-phenyl-5,6-dihydro-2H-1,4-oxazin-2-one
CID 11127054

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one?
The IUPAC name of (3S)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one (CID 10942968) is (3S)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one.
What is the SMILES notation for (3S)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one?
The canonical SMILES for (3S)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one is O=C1C=N[C@@H](c2ccccc2)CO1.
What is the InChIKey of (3S)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one?
The InChIKey is DINGSFSTMYUIAU-SECBINFHSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10-6-11-9(7-13-10)8-4-2-1-3-5-8/h1-6,9H,7H2/t9-/m1/s1.
What are the key properties of (3S)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one?
(3S)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one has a molecular weight of 175.19 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-2,3-dihydro-1,4-oxazin-6-one is sourced from PubChem (CID 10942968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).