(6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one

C18H15F3N2O3 — CID 137463023

IUPAC(6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCOc1ccc(-c2ccc(C3=NNC(=O)O[C@H]3C)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O3/c1-10-16(22-23-17(24)26-10)12-5-8-14(15(9-12)18(19,20)21)11-3-6-13(25-2)7-4-11/h3-10H,1-2H3,(H,23,24)/t10-/m0/s1
InChIKeyQQWHXUAAHPGCKJ-JTQLQIEISA-N
MW364.32 g/mol
LogP4.21
Rot. Bonds3

About (6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one

(6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137463023) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is (6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name(6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137463023
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name(6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCOc1ccc(-c2ccc(C3=NNC(=O)O[C@H]3C)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N2O3/c1-10-16(22-23-17(24)26-10)12-5-8-14(15(9-12)18(19,20)21)11-3-6-13(25-2)7-4-11/h3-10H,1-2H3,(H,23,24)/t10-/m0/s1
InChIKeyQQWHXUAAHPGCKJ-JTQLQIEISA-N
XLogP4.21
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-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

Frequently Asked Questions

What is the IUPAC name of (6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of (6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137463023) is (6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for (6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for (6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one is COc1ccc(-c2ccc(C3=NNC(=O)O[C@H]3C)cc2C(F)(F)F)cc1.
What is the InChIKey of (6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is QQWHXUAAHPGCKJ-JTQLQIEISA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-10-16(22-23-17(24)26-10)12-5-8-14(15(9-12)18(19,20)21)11-3-6-13(25-2)7-4-11/h3-10H,1-2H3,(H,23,24)/t10-/m0/s1.
What are the key properties of (6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one?
(6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 364.32 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-[4-(4-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137463023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).