4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine

C14H17F3N3O4P — CID 134916575

IUPAC4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine
SMILESCOP(=O)(OC)C1(C(F)(F)F)N=C(c2ccccc2)OC(N(C)C)=N1
InChIInChI=1S/C14H17F3N3O4P/c1-20(2)12-19-14(13(15,16)17,25(21,22-3)23-4)18-11(24-12)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyJVXLNKAAVDMGJB-UHFFFAOYSA-N
MW379.28 g/mol
LogP3.08
Rot. Bonds4

About 4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine

4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine (PubChem CID 134916575) has the molecular formula C14H17F3N3O4P and a molecular weight of 379.28 g/mol. Its IUPAC name is 4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine.

Molecular Properties

Compound Name4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine
PubChem CID134916575
Molecular FormulaC14H17F3N3O4P
Molecular Weight379.28 g/mol
Exact Mass379.09
IUPAC Name4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine
SMILESCOP(=O)(OC)C1(C(F)(F)F)N=C(c2ccccc2)OC(N(C)C)=N1
InChIInChI=1S/C14H17F3N3O4P/c1-20(2)12-19-14(13(15,16)17,25(21,22-3)23-4)18-11(24-12)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyJVXLNKAAVDMGJB-UHFFFAOYSA-N
XLogP3.08
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine 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 4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The IUPAC name of 4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine (CID 134916575) is 4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine.
What is the SMILES notation for 4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The canonical SMILES for 4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine is COP(=O)(OC)C1(C(F)(F)F)N=C(c2ccccc2)OC(N(C)C)=N1.
What is the InChIKey of 4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
The InChIKey is JVXLNKAAVDMGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N3O4P/c1-20(2)12-19-14(13(15,16)17,25(21,22-3)23-4)18-11(24-12)10-8-6-5-7-9-10/h5-9H,1-4H3.
What are the key properties of 4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine?
4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine has a molecular weight of 379.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethoxyphosphoryl-N,N-dimethyl-6-phenyl-4-(trifluoromethyl)-1,3,5-oxadiazin-2-amine is sourced from PubChem (CID 134916575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).