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

C13H15NO2 — CID 58508366

IUPAC3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
SMILESCC(C)C1=NC(c2ccccc2)COC1=O
InChIInChI=1S/C13H15NO2/c1-9(2)12-13(15)16-8-11(14-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyAVWUDFIZNJMHJI-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.38
Rot. Bonds2

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

3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one (PubChem CID 58508366) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one.

Molecular Properties

Compound Name3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
PubChem CID58508366
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
SMILESCC(C)C1=NC(c2ccccc2)COC1=O
InChIInChI=1S/C13H15NO2/c1-9(2)12-13(15)16-8-11(14-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKeyAVWUDFIZNJMHJI-UHFFFAOYSA-N
XLogP2.38
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-phenyl-2H-azirine-2-carboxylate
CID 570795
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
(2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one
CID 11042179
5(4H)-Oxazolone, 4-methyl-2-(phenylmethyl)-
CID 12246765
(3S)-3-phenyl-5-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2,3-dihydro-1,4-oxazin-6-one
CID 134858529
2-tert-butyl-4-phenyl-4H-1,3-oxazol-5-one
CID 10943910
methyl 2-phenyl-2H-azirine-3-carboxylate
CID 13399256
Ethyl isothiocyanato(phenyl)acetate
CID 15811506
Methyl 2-isocyanato-2-phenylacetate
CID 2769482
2H-1,4-Oxazin-2-one, 5,6-dihydro-5-phenyl-, (5S)-
CID 10942968
(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 3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one?
The IUPAC name of 3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one (CID 58508366) is 3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one.
What is the SMILES notation for 3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one?
The canonical SMILES for 3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one is CC(C)C1=NC(c2ccccc2)COC1=O.
What is the InChIKey of 3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one?
The InChIKey is AVWUDFIZNJMHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)12-13(15)16-8-11(14-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3.
What are the key properties of 3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one?
3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one has a molecular weight of 217.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one is sourced from PubChem (CID 58508366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).