[(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone

C18H18N2O3 — CID 9101994

IUPAC[(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone
SMILESC[C@H]1C(c2ccccc2)=NO[C@@](C)(C(=O)c2ccccc2)N1O
InChIInChI=1S/C18H18N2O3/c1-13-16(14-9-5-3-6-10-14)19-23-18(2,20(13)22)17(21)15-11-7-4-8-12-15/h3-13,22H,1-2H3/t13-,18-/m0/s1
InChIKeySVLJSHIWPPNILW-UGSOOPFHSA-N
MW310.35 g/mol
LogP3.10
Rot. Bonds3

About [(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone

[(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone (PubChem CID 9101994) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is [(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone
PubChem CID9101994
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name[(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone
SMILESC[C@H]1C(c2ccccc2)=NO[C@@](C)(C(=O)c2ccccc2)N1O
InChIInChI=1S/C18H18N2O3/c1-13-16(14-9-5-3-6-10-14)19-23-18(2,20(13)22)17(21)15-11-7-4-8-12-15/h3-13,22H,1-2H3/t13-,18-/m0/s1
InChIKeySVLJSHIWPPNILW-UGSOOPFHSA-N
XLogP3.10
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone?
The IUPAC name of [(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone (CID 9101994) is [(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone.
What is the SMILES notation for [(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone?
The canonical SMILES for [(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone is C[C@H]1C(c2ccccc2)=NO[C@@](C)(C(=O)c2ccccc2)N1O.
What is the InChIKey of [(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone?
The InChIKey is SVLJSHIWPPNILW-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-13-16(14-9-5-3-6-10-14)19-23-18(2,20(13)22)17(21)15-11-7-4-8-12-15/h3-13,22H,1-2H3/t13-,18-/m0/s1.
What are the key properties of [(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone?
[(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone has a molecular weight of 310.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6S)-5-hydroxy-4,6-dimethyl-3-phenyl-4H-1,2,5-oxadiazin-6-yl]-phenylmethanone is sourced from PubChem (CID 9101994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).