4-benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one

C18H20N2O3 — CID 134786577

IUPAC4-benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESCOCC1CN(Cc2ccccc2)C(=O)c2ccc(C)nc2O1
InChIInChI=1S/C18H20N2O3/c1-13-8-9-16-17(19-13)23-15(12-22-2)11-20(18(16)21)10-14-6-4-3-5-7-14/h3-9,15H,10-12H2,1-2H3
InChIKeyOQGOXYAHHYDKAR-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.44
Rot. Bonds4

About 4-benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one

4-benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (PubChem CID 134786577) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name4-benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
PubChem CID134786577
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESCOCC1CN(Cc2ccccc2)C(=O)c2ccc(C)nc2O1
InChIInChI=1S/C18H20N2O3/c1-13-8-9-16-17(19-13)23-15(12-22-2)11-20(18(16)21)10-14-6-4-3-5-7-14/h3-9,15H,10-12H2,1-2H3
InChIKeyOQGOXYAHHYDKAR-UHFFFAOYSA-N
XLogP2.44
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The IUPAC name of 4-benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (CID 134786577) is 4-benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.
What is the SMILES notation for 4-benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The canonical SMILES for 4-benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is COCC1CN(Cc2ccccc2)C(=O)c2ccc(C)nc2O1.
What is the InChIKey of 4-benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The InChIKey is OQGOXYAHHYDKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-8-9-16-17(19-13)23-15(12-22-2)11-20(18(16)21)10-14-6-4-3-5-7-14/h3-9,15H,10-12H2,1-2H3.
What are the key properties of 4-benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
4-benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one has a molecular weight of 312.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(methoxymethyl)-8-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is sourced from PubChem (CID 134786577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).