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

C15H10F6N4O2 — CID 137462687

IUPAC(6S)-6-methyl-5-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESC[C@@H]1OC(=O)NN=C1c1ccc(-n2ccc(C(F)(F)F)n2)c(C(F)(F)F)c1
InChIInChI=1S/C15H10F6N4O2/c1-7-12(22-23-13(26)27-7)8-2-3-10(9(6-8)14(16,17)18)25-5-4-11(24-25)15(19,20)21/h2-7H,1H3,(H,23,26)/t7-/m0/s1
InChIKeyYRYSNJRREQGBOS-ZETCQYMHSA-N
MW392.26 g/mol
LogP3.74
Rot. Bonds2

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

(6S)-6-methyl-5-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462687) has the molecular formula C15H10F6N4O2 and a molecular weight of 392.26 g/mol. Its IUPAC name is (6S)-6-methyl-5-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name(6S)-6-methyl-5-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462687
Molecular FormulaC15H10F6N4O2
Molecular Weight392.26 g/mol
Exact Mass392.07
IUPAC Name(6S)-6-methyl-5-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESC[C@@H]1OC(=O)NN=C1c1ccc(-n2ccc(C(F)(F)F)n2)c(C(F)(F)F)c1
InChIInChI=1S/C15H10F6N4O2/c1-7-12(22-23-13(26)27-7)8-2-3-10(9(6-8)14(16,17)18)25-5-4-11(24-25)15(19,20)21/h2-7H,1H3,(H,23,26)/t7-/m0/s1
InChIKeyYRYSNJRREQGBOS-ZETCQYMHSA-N
XLogP3.74
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-6-methyl-5-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-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)-6-methyl-5-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of (6S)-6-methyl-5-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462687) is (6S)-6-methyl-5-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for (6S)-6-methyl-5-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for (6S)-6-methyl-5-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is C[C@@H]1OC(=O)NN=C1c1ccc(-n2ccc(C(F)(F)F)n2)c(C(F)(F)F)c1.
What is the InChIKey of (6S)-6-methyl-5-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is YRYSNJRREQGBOS-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H10F6N4O2/c1-7-12(22-23-13(26)27-7)8-2-3-10(9(6-8)14(16,17)18)25-5-4-11(24-25)15(19,20)21/h2-7H,1H3,(H,23,26)/t7-/m0/s1.
What are the key properties of (6S)-6-methyl-5-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
(6S)-6-methyl-5-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 392.26 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-5-[3-(trifluoromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).