2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione

C18H18N2O3 — CID 561921

IUPAC2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione
SMILESCC(C)C1C(=O)ON(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-13(2)16-17(21)23-20(15-11-7-4-8-12-15)18(22)19(16)14-9-5-3-6-10-14/h3-13,16H,1-2H3
InChIKeyYVXRWRQHZJIRJJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.62
Rot. Bonds3

About 2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione

2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione (PubChem CID 561921) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione.

Molecular Properties

Compound Name2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione
PubChem CID561921
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione
SMILESCC(C)C1C(=O)ON(c2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-13(2)16-17(21)23-20(15-11-7-4-8-12-15)18(22)19(16)14-9-5-3-6-10-14/h3-13,16H,1-2H3
InChIKeyYVXRWRQHZJIRJJ-UHFFFAOYSA-N
XLogP3.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958790
4-phenyl-5-propan-2-yl-1,2,4-triazolidin-3-one
CID 19080100
4-phenyl-2,6-dioxa-4-azabicyclo[3.1.0]hexan-3-one
CID 101253932
(5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione
CID 102306788
1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione
CID 602962
1-methyl-4-methylidene-2-phenyl-5-propan-2-ylpyrazolidin-3-one
CID 102361650
2-phenyl-4-propan-2-yl-1,3-dioxetane
CID 67555130
5-amino-3-phenyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one
CID 115038863
ethane;3-methanidyl-4-methyl-1-phenylazetidin-2-one;yttrium
CID 59326622
3-methyl-2-phenyl-3H-isoindol-1-one
CID 77321991
1-phenyl-8aH-[1,2,4]oxadiazolo[2,3-a]pyridin-2-one
CID 134859810
(3R,4S)-3-hydroxy-1,4-diphenyl-3-propan-2-ylazetidin-2-one
CID 15419094

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione?
The IUPAC name of 2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione (CID 561921) is 2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione.
What is the SMILES notation for 2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione?
The canonical SMILES for 2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione is CC(C)C1C(=O)ON(c2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione?
The InChIKey is YVXRWRQHZJIRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13(2)16-17(21)23-20(15-11-7-4-8-12-15)18(22)19(16)14-9-5-3-6-10-14/h3-13,16H,1-2H3.
What are the key properties of 2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione?
2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione has a molecular weight of 310.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-5-propan-2-yl-1,2,4-oxadiazinane-3,6-dione is sourced from PubChem (CID 561921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).