(5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one

C18H26N2O4 — CID 11404861

IUPAC(5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one
SMILESCC(C)[C@@H](O)[C@H](C)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@H](C)N1C
InChIInChI=1S/C18H26N2O4/c1-11(2)15(21)12(3)17(22)20-18(23)24-16(13(4)19(20)5)14-9-7-6-8-10-14/h6-13,15-16,21H,1-5H3/t12-,13-,15+,16-/m0/s1
InChIKeyVTKPCABUKXIYSI-UGQVUOCMSA-N
MW334.42 g/mol
LogP2.59
Rot. Bonds4

About (5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one

(5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one (PubChem CID 11404861) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one.

Molecular Properties

Compound Name(5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one
PubChem CID11404861
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one
SMILESCC(C)[C@@H](O)[C@H](C)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@H](C)N1C
InChIInChI=1S/C18H26N2O4/c1-11(2)15(21)12(3)17(22)20-18(23)24-16(13(4)19(20)5)14-9-7-6-8-10-14/h6-13,15-16,21H,1-5H3/t12-,13-,15+,16-/m0/s1
InChIKeyVTKPCABUKXIYSI-UGQVUOCMSA-N
XLogP2.59
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one 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

(5S,6R)-3-[(2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one
CID 12013005
(5S,6R)-4,5-dimethyl-6-phenyl-3-propionyl-2H-1,3,4-oxadiazin-2-one
CID 101215307
(4S,5R)-3-(4-fluoro-3-hydroxypent-4-enoyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 153722771
(4R,5S)-3-[(E,2R,3R)-3-hydroxy-2,4-dimethylhex-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11359016
(5S,6S)-3-(2,2-dimethylpropanoyl)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one
CID 10979140
(4R,5S)-3-[(2S,3S)-3-hydroxy-2-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11011287
(5S,6S)-4,5-Dimethyl-3-methylacryloyl-6-phenyl-1,3,4-oxadiazinan-2-one
CID 11054873
(4R,5S)-3-((2R,3S,4S)-3-Hydroxy-2,4-dimethylhept-6-enoyl)-4-methyl-5-phenyloxazolidin-2-one
CID 11438952
(4R)-3-[(2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one
CID 11709756
(4R,5S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 12684921
(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylpent-4-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 14035577
(4R)-4-benzyl-3-[(2R)-2-[(1S)-1-hydroxy-3-phenylmethoxypropyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 46944438

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one?
The IUPAC name of (5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one (CID 11404861) is (5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one.
What is the SMILES notation for (5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one?
The canonical SMILES for (5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one is CC(C)[C@@H](O)[C@H](C)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@H](C)N1C.
What is the InChIKey of (5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one?
The InChIKey is VTKPCABUKXIYSI-UGQVUOCMSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-11(2)15(21)12(3)17(22)20-18(23)24-16(13(4)19(20)5)14-9-7-6-8-10-14/h6-13,15-16,21H,1-5H3/t12-,13-,15+,16-/m0/s1.
What are the key properties of (5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one?
(5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one has a molecular weight of 334.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one is sourced from PubChem (CID 11404861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).