4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine

C16H18N2O — CID 13212020

IUPAC4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine
SMILESCC1(C)CN(Cc2ccccc2)c2ncccc2O1
InChIInChI=1S/C16H18N2O/c1-16(2)12-18(11-13-7-4-3-5-8-13)15-14(19-16)9-6-10-17-15/h3-10H,11-12H2,1-2H3
InChIKeyYOKJGYWUICLWDS-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.26
Rot. Bonds2

About 4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine

4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine (PubChem CID 13212020) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine
PubChem CID13212020
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine
SMILESCC1(C)CN(Cc2ccccc2)c2ncccc2O1
InChIInChI=1S/C16H18N2O/c1-16(2)12-18(11-13-7-4-3-5-8-13)15-14(19-16)9-6-10-17-15/h3-10H,11-12H2,1-2H3
InChIKeyYOKJGYWUICLWDS-UHFFFAOYSA-N
XLogP3.26
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine 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-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine (CID 13212020) is 4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine is CC1(C)CN(Cc2ccccc2)c2ncccc2O1.
What is the InChIKey of 4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is YOKJGYWUICLWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-16(2)12-18(11-13-7-4-3-5-8-13)15-14(19-16)9-6-10-17-15/h3-10H,11-12H2,1-2H3.
What are the key properties of 4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine?
4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 254.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 13212020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).