4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-1,3-oxazin-6-one

C19H18N2O2 — CID 5094914

IUPAC4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-1,3-oxazin-6-one
SMILESCc1ccc(-c2nc(-c3ccc(N(C)C)cc3)cc(=O)o2)cc1
InChIInChI=1S/C19H18N2O2/c1-13-4-6-15(7-5-13)19-20-17(12-18(22)23-19)14-8-10-16(11-9-14)21(2)3/h4-12H,1-3H3
InChIKeyWDLXBKXNVSBPKQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.74
Rot. Bonds3

About 4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-1,3-oxazin-6-one

4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-1,3-oxazin-6-one (PubChem CID 5094914) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-1,3-oxazin-6-one.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-1,3-oxazin-6-one
PubChem CID5094914
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-1,3-oxazin-6-one
SMILESCc1ccc(-c2nc(-c3ccc(N(C)C)cc3)cc(=O)o2)cc1
InChIInChI=1S/C19H18N2O2/c1-13-4-6-15(7-5-13)19-20-17(12-18(22)23-19)14-8-10-16(11-9-14)21(2)3/h4-12H,1-3H3
InChIKeyWDLXBKXNVSBPKQ-UHFFFAOYSA-N
XLogP3.74
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-1,3-oxazin-6-one?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-1,3-oxazin-6-one (CID 5094914) is 4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-1,3-oxazin-6-one.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-1,3-oxazin-6-one?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-1,3-oxazin-6-one is Cc1ccc(-c2nc(-c3ccc(N(C)C)cc3)cc(=O)o2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-1,3-oxazin-6-one?
The InChIKey is WDLXBKXNVSBPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-4-6-15(7-5-13)19-20-17(12-18(22)23-19)14-8-10-16(11-9-14)21(2)3/h4-12H,1-3H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-1,3-oxazin-6-one?
4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-1,3-oxazin-6-one has a molecular weight of 306.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-1,3-oxazin-6-one is sourced from PubChem (CID 5094914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).