3-phenyl-2,5-dihydro-1,4-oxazin-6-one

C10H9NO2 — CID 15328619

IUPAC3-phenyl-2,5-dihydro-1,4-oxazin-6-one
SMILESO=C1CN=C(c2ccccc2)CO1
InChIInChI=1S/C10H9NO2/c12-10-6-11-9(7-13-10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyASBCDYLHBIBNHO-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.03
Rot. Bonds1

About 3-phenyl-2,5-dihydro-1,4-oxazin-6-one

3-phenyl-2,5-dihydro-1,4-oxazin-6-one (PubChem CID 15328619) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-phenyl-2,5-dihydro-1,4-oxazin-6-one.

Molecular Properties

Compound Name3-phenyl-2,5-dihydro-1,4-oxazin-6-one
PubChem CID15328619
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-phenyl-2,5-dihydro-1,4-oxazin-6-one
SMILESO=C1CN=C(c2ccccc2)CO1
InChIInChI=1S/C10H9NO2/c12-10-6-11-9(7-13-10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyASBCDYLHBIBNHO-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(diphenylmethyleneamino)acetate
CID 319508
ethyl 3-phenyl-2H-azirine-2-carboxylate
CID 570795
(2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one
CID 11042179
5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid ethyl ester
CID 11106816
5(4H)-Oxazolone, 4-methyl-2-(phenylmethyl)-
CID 12246765
2-benzyl-5-oxo-4H-oxazole-4-carbaldehyde
CID 408673
(2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
CID 11746414
5,5-Dimethyl-3-phenyl-5,6-dihydro-2H-1,4-oxazin-2-on
CID 121015119
2H-1,4-Oxazin-2-one, 5,6-dihydro-5-phenyl-, (5S)-
CID 10942968
(R)-3-Methyl-5-phenyl-5,6-dihydro-2H-1,4-oxazin-2-one
CID 11127054
Phenyloxazolinone
CID 17868928
(5S)-3-methyl-5-phenyl-5,6-dihydro-2H-1,4-oxazin-2-one
CID 57467834

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,5-dihydro-1,4-oxazin-6-one?
The IUPAC name of 3-phenyl-2,5-dihydro-1,4-oxazin-6-one (CID 15328619) is 3-phenyl-2,5-dihydro-1,4-oxazin-6-one.
What is the SMILES notation for 3-phenyl-2,5-dihydro-1,4-oxazin-6-one?
The canonical SMILES for 3-phenyl-2,5-dihydro-1,4-oxazin-6-one is O=C1CN=C(c2ccccc2)CO1.
What is the InChIKey of 3-phenyl-2,5-dihydro-1,4-oxazin-6-one?
The InChIKey is ASBCDYLHBIBNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10-6-11-9(7-13-10)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 3-phenyl-2,5-dihydro-1,4-oxazin-6-one?
3-phenyl-2,5-dihydro-1,4-oxazin-6-one has a molecular weight of 175.19 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,5-dihydro-1,4-oxazin-6-one is sourced from PubChem (CID 15328619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).