3-ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine

C14H17F3N2O — CID 14592556

IUPAC3-ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
SMILESCCN1N=C(c2ccc(C)cc2)C(C(F)(F)F)OC1C
InChIInChI=1S/C14H17F3N2O/c1-4-19-10(3)20-13(14(15,16)17)12(18-19)11-7-5-9(2)6-8-11/h5-8,10,13H,4H2,1-3H3
InChIKeyGQCMEHPDDAFXFO-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.33
Rot. Bonds2

About 3-ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine

3-ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine (PubChem CID 14592556) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 3-ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine.

Molecular Properties

Compound Name3-ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
PubChem CID14592556
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name3-ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
SMILESCCN1N=C(c2ccc(C)cc2)C(C(F)(F)F)OC1C
InChIInChI=1S/C14H17F3N2O/c1-4-19-10(3)20-13(14(15,16)17)12(18-19)11-7-5-9(2)6-8-11/h5-8,10,13H,4H2,1-3H3
InChIKeyGQCMEHPDDAFXFO-UHFFFAOYSA-N
XLogP3.33
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine
CID 365916
3-methyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine
CID 156493522
5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-1,4-oxazine
CID 167499962
N-methyl-N-[(E)-(1-phenyl-2-prop-2-enoxypropylidene)amino]methanamine
CID 134895946
3-methyl-5-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine
CID 14024805
3-Tert-butyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
CID 14592557
5-Benzyl-3-tert-butyl-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
CID 14592563
(6R)-3-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
CID 92275685
(6S)-3-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine
CID 92299044
5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine
CID 102056700
2-(1,3-difluoropropan-2-yl)-5-[(4-ethylphenyl)methyl]-6-(methoxymethyl)-3-(trifluoromethyl)-3H-pyridazine
CID 142823035
3-Methyl-5-phenyl-2,6-dihydro-1,3,4-oxadiazine
CID 102089655

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine?
The IUPAC name of 3-ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine (CID 14592556) is 3-ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine.
What is the SMILES notation for 3-ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine?
The canonical SMILES for 3-ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine is CCN1N=C(c2ccc(C)cc2)C(C(F)(F)F)OC1C.
What is the InChIKey of 3-ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine?
The InChIKey is GQCMEHPDDAFXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-4-19-10(3)20-13(14(15,16)17)12(18-19)11-7-5-9(2)6-8-11/h5-8,10,13H,4H2,1-3H3.
What are the key properties of 3-ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine?
3-ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine has a molecular weight of 286.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-2,6-dihydro-1,3,4-oxadiazine is sourced from PubChem (CID 14592556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).