4-benzyl-2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

C16H18N2O — CID 13212023

IUPAC4-benzyl-2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCCC1CN(Cc2ccccc2)c2ncccc2O1
InChIInChI=1S/C16H18N2O/c1-2-14-12-18(11-13-7-4-3-5-8-13)16-15(19-14)9-6-10-17-16/h3-10,14H,2,11-12H2,1H3
InChIKeyXYODLDODHGNMTA-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.26
Rot. Bonds3

About 4-benzyl-2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

4-benzyl-2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 13212023) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-benzyl-2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name4-benzyl-2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID13212023
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-benzyl-2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCCC1CN(Cc2ccccc2)c2ncccc2O1
InChIInChI=1S/C16H18N2O/c1-2-14-12-18(11-13-7-4-3-5-8-13)16-15(19-14)9-6-10-17-16/h3-10,14H,2,11-12H2,1H3
InChIKeyXYODLDODHGNMTA-UHFFFAOYSA-N
XLogP3.26
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 4-benzyl-2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 13212023) is 4-benzyl-2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 4-benzyl-2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 4-benzyl-2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is CCC1CN(Cc2ccccc2)c2ncccc2O1.
What is the InChIKey of 4-benzyl-2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is XYODLDODHGNMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-14-12-18(11-13-7-4-3-5-8-13)16-15(19-14)9-6-10-17-16/h3-10,14H,2,11-12H2,1H3.
What are the key properties of 4-benzyl-2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
4-benzyl-2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 254.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-ethyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 13212023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).