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

C23H22N2O3 — CID 134786682

IUPAC4-benzyl-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESCc1ccc2c(n1)OC(COc1ccccc1)CN(Cc1ccccc1)C2=O
InChIInChI=1S/C23H22N2O3/c1-17-12-13-21-22(24-17)28-20(16-27-19-10-6-3-7-11-19)15-25(23(21)26)14-18-8-4-2-5-9-18/h2-13,20H,14-16H2,1H3
InChIKeyBTDCASYGXIMGCQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.87
Rot. Bonds5

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

4-benzyl-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (PubChem CID 134786682) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-benzyl-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name4-benzyl-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
PubChem CID134786682
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name4-benzyl-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESCc1ccc2c(n1)OC(COc1ccccc1)CN(Cc1ccccc1)C2=O
InChIInChI=1S/C23H22N2O3/c1-17-12-13-21-22(24-17)28-20(16-27-19-10-6-3-7-11-19)15-25(23(21)26)14-18-8-4-2-5-9-18/h2-13,20H,14-16H2,1H3
InChIKeyBTDCASYGXIMGCQ-UHFFFAOYSA-N
XLogP3.87
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The IUPAC name of 4-benzyl-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (CID 134786682) is 4-benzyl-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.
What is the SMILES notation for 4-benzyl-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The canonical SMILES for 4-benzyl-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is Cc1ccc2c(n1)OC(COc1ccccc1)CN(Cc1ccccc1)C2=O.
What is the InChIKey of 4-benzyl-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The InChIKey is BTDCASYGXIMGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-17-12-13-21-22(24-17)28-20(16-27-19-10-6-3-7-11-19)15-25(23(21)26)14-18-8-4-2-5-9-18/h2-13,20H,14-16H2,1H3.
What are the key properties of 4-benzyl-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
4-benzyl-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one has a molecular weight of 374.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-8-methyl-2-(phenoxymethyl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is sourced from PubChem (CID 134786682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).