5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine

C19H24N4O — CID 89248186

IUPAC5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
SMILESCN1OCC(C)(c2cccc(-c3cccc(N(C)C)c3)c2)N=C1N
InChIInChI=1S/C19H24N4O/c1-19(13-24-23(4)18(20)21-19)16-9-5-7-14(11-16)15-8-6-10-17(12-15)22(2)3/h5-12H,13H2,1-4H3,(H2,20,21)
InChIKeyUJPHDBKGANYVEC-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.83
Rot. Bonds3

About 5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine

5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine (PubChem CID 89248186) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine.

Molecular Properties

Compound Name5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
PubChem CID89248186
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine
SMILESCN1OCC(C)(c2cccc(-c3cccc(N(C)C)c3)c2)N=C1N
InChIInChI=1S/C19H24N4O/c1-19(13-24-23(4)18(20)21-19)16-9-5-7-14(11-16)15-8-6-10-17(12-15)22(2)3/h5-12H,13H2,1-4H3,(H2,20,21)
InChIKeyUJPHDBKGANYVEC-UHFFFAOYSA-N
XLogP2.83
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?
The IUPAC name of 5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine (CID 89248186) is 5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine.
What is the SMILES notation for 5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?
The canonical SMILES for 5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine is CN1OCC(C)(c2cccc(-c3cccc(N(C)C)c3)c2)N=C1N.
What is the InChIKey of 5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?
The InChIKey is UJPHDBKGANYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-19(13-24-23(4)18(20)21-19)16-9-5-7-14(11-16)15-8-6-10-17(12-15)22(2)3/h5-12H,13H2,1-4H3,(H2,20,21).
What are the key properties of 5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine?
5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine has a molecular weight of 324.43 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(dimethylamino)phenyl]phenyl]-2,5-dimethyl-6H-1,2,4-oxadiazin-3-amine is sourced from PubChem (CID 89248186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).