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

C22H20N2O3 — CID 134786727

IUPAC8-methyl-2-(phenoxymethyl)-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESCc1ccc2c(n1)OC(COc1ccccc1)CN(c1ccccc1)C2=O
InChIInChI=1S/C22H20N2O3/c1-16-12-13-20-21(23-16)27-19(15-26-18-10-6-3-7-11-18)14-24(22(20)25)17-8-4-2-5-9-17/h2-13,19H,14-15H2,1H3
InChIKeyAWYCJQSBTATSIS-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.88
Rot. Bonds4

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

8-methyl-2-(phenoxymethyl)-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (PubChem CID 134786727) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 8-methyl-2-(phenoxymethyl)-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.

Molecular Properties

Compound Name8-methyl-2-(phenoxymethyl)-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
PubChem CID134786727
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name8-methyl-2-(phenoxymethyl)-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
SMILESCc1ccc2c(n1)OC(COc1ccccc1)CN(c1ccccc1)C2=O
InChIInChI=1S/C22H20N2O3/c1-16-12-13-20-21(23-16)27-19(15-26-18-10-6-3-7-11-18)14-24(22(20)25)17-8-4-2-5-9-17/h2-13,19H,14-15H2,1H3
InChIKeyAWYCJQSBTATSIS-UHFFFAOYSA-N
XLogP3.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(phenoxymethyl)-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The IUPAC name of 8-methyl-2-(phenoxymethyl)-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one (CID 134786727) is 8-methyl-2-(phenoxymethyl)-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one.
What is the SMILES notation for 8-methyl-2-(phenoxymethyl)-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The canonical SMILES for 8-methyl-2-(phenoxymethyl)-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is Cc1ccc2c(n1)OC(COc1ccccc1)CN(c1ccccc1)C2=O.
What is the InChIKey of 8-methyl-2-(phenoxymethyl)-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
The InChIKey is AWYCJQSBTATSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16-12-13-20-21(23-16)27-19(15-26-18-10-6-3-7-11-18)14-24(22(20)25)17-8-4-2-5-9-17/h2-13,19H,14-15H2,1H3.
What are the key properties of 8-methyl-2-(phenoxymethyl)-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one?
8-methyl-2-(phenoxymethyl)-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one has a molecular weight of 360.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(phenoxymethyl)-4-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one is sourced from PubChem (CID 134786727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).