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

C18H15F3N2O3 — CID 137462667

IUPAC(6S)-5-[4-(2-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCOc1ccccc1-c1ccc(C2=NNC(=O)O[C@H]2C)cc1C(F)(F)F
InChIInChI=1S/C18H15F3N2O3/c1-10-16(22-23-17(24)26-10)11-7-8-12(14(9-11)18(19,20)21)13-5-3-4-6-15(13)25-2/h3-10H,1-2H3,(H,23,24)/t10-/m0/s1
InChIKeyHCIDSTUOZLVOEQ-JTQLQIEISA-N
MW364.32 g/mol
LogP4.21
Rot. Bonds3

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

(6S)-5-[4-(2-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462667) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is (6S)-5-[4-(2-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name(6S)-5-[4-(2-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462667
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name(6S)-5-[4-(2-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCOc1ccccc1-c1ccc(C2=NNC(=O)O[C@H]2C)cc1C(F)(F)F
InChIInChI=1S/C18H15F3N2O3/c1-10-16(22-23-17(24)26-10)11-7-8-12(14(9-11)18(19,20)21)13-5-3-4-6-15(13)25-2/h3-10H,1-2H3,(H,23,24)/t10-/m0/s1
InChIKeyHCIDSTUOZLVOEQ-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-(2-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one with MolForge

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Related Compounds

CID 154663815
CID 154663815
CID 154663822
CID 154663822
(6S)-5-[4-butoxy-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 154663828
(6S)-5-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 154663829
(6S)-5-[4-ethoxy-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 154663835
(6S)-6-methyl-5-[4-propoxy-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 154663839
methyl N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]carbamate
CID 9656047
ethyl N-[(E)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]carbamate
CID 9658134
US11427553, Example 37
CID 137462708
US11427553, Example 76
CID 137462731
US11427553, Example 35
CID 137462826
US11427553, Example 116
CID 137462861

Frequently Asked Questions

What is the IUPAC name of (6S)-5-[4-(2-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of (6S)-5-[4-(2-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462667) is (6S)-5-[4-(2-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for (6S)-5-[4-(2-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for (6S)-5-[4-(2-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one is COc1ccccc1-c1ccc(C2=NNC(=O)O[C@H]2C)cc1C(F)(F)F.
What is the InChIKey of (6S)-5-[4-(2-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is HCIDSTUOZLVOEQ-JTQLQIEISA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-10-16(22-23-17(24)26-10)11-7-8-12(14(9-11)18(19,20)21)13-5-3-4-6-15(13)25-2/h3-10H,1-2H3,(H,23,24)/t10-/m0/s1.
What are the key properties of (6S)-5-[4-(2-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one?
(6S)-5-[4-(2-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-(2-methoxyphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).