3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one

C18H20N2O2 — CID 57028493

IUPAC3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one
SMILESCCC(c1ccccc1)N1COCN(c2ccccc2)C1=O
InChIInChI=1S/C18H20N2O2/c1-2-17(15-9-5-3-6-10-15)20-14-22-13-19(18(20)21)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3
InChIKeyXVOCQUWZEITWLZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.01
Rot. Bonds4

About 3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one

3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one (PubChem CID 57028493) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one.

Molecular Properties

Compound Name3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one
PubChem CID57028493
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one
SMILESCCC(c1ccccc1)N1COCN(c2ccccc2)C1=O
InChIInChI=1S/C18H20N2O2/c1-2-17(15-9-5-3-6-10-15)20-14-22-13-19(18(20)21)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3
InChIKeyXVOCQUWZEITWLZ-UHFFFAOYSA-N
XLogP4.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-5-phenyl-1,3,5-oxadiazinan-4-one
CID 10492110
3-[2,5-dioxo-3-(1-phenylpropyl)imidazolidin-1-yl]benzonitrile
CID 102563120
2-[(1S)-1-phenylpropyl]isoindole-1,3-dione
CID 174517685
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
CID 67996093
2-(1-phenylpropyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79923579
4-(1-phenylpropyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62898403
(4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134975680
S-[5-oxo-1-(1-phenylpropyl)pyrrolidin-3-yl] ethanethioate
CID 168704367
(2S)-N-[4-[2-oxo-3-[(1R)-1-phenylethyl]-1,3-diazinan-1-yl]phenyl]-2-phenylbutanamide
CID 92999502
(5E)-5-[(4-phenylphenyl)methylidene]-1-[(1S)-1-phenylpropyl]pyrrolidin-2-one
CID 137397202
6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one
CID 62303894

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one?
The IUPAC name of 3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one (CID 57028493) is 3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one.
What is the SMILES notation for 3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one?
The canonical SMILES for 3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one is CCC(c1ccccc1)N1COCN(c2ccccc2)C1=O.
What is the InChIKey of 3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one?
The InChIKey is XVOCQUWZEITWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-17(15-9-5-3-6-10-15)20-14-22-13-19(18(20)21)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3.
What are the key properties of 3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one?
3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one has a molecular weight of 296.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(1-phenylpropyl)-1,3,5-oxadiazinan-4-one is sourced from PubChem (CID 57028493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).