6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one

C16H17N3O2 — CID 83493794

IUPAC6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1(C)Oc2ccc(N)nc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H17N3O2/c1-16(2)15(20)19(10-11-6-4-3-5-7-11)14-12(21-16)8-9-13(17)18-14/h3-9H,10H2,1-2H3,(H2,17,18)
InChIKeyWUUZEACNCDZMKO-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.37
Rot. Bonds2

About 6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one

6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 83493794) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
PubChem CID83493794
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one
SMILESCC1(C)Oc2ccc(N)nc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C16H17N3O2/c1-16(2)15(20)19(10-11-6-4-3-5-7-11)14-12(21-16)8-9-13(17)18-14/h3-9H,10H2,1-2H3,(H2,17,18)
InChIKeyWUUZEACNCDZMKO-UHFFFAOYSA-N
XLogP2.37
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one (CID 83493794) is 6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one is CC1(C)Oc2ccc(N)nc2N(Cc2ccccc2)C1=O.
What is the InChIKey of 6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is WUUZEACNCDZMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-16(2)15(20)19(10-11-6-4-3-5-7-11)14-12(21-16)8-9-13(17)18-14/h3-9H,10H2,1-2H3,(H2,17,18).
What are the key properties of 6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one?
6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 283.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-benzyl-2,2-dimethylpyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 83493794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).