4-(2-phenoxyethyl)-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one

C22H20N2O3 — CID 134805187

IUPAC4-(2-phenoxyethyl)-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(-c3ccccc3)nc2CN1CCOc1ccccc1
InChIInChI=1S/C22H20N2O3/c25-22-16-27-21-12-11-19(17-7-3-1-4-8-17)23-20(21)15-24(22)13-14-26-18-9-5-2-6-10-18/h1-12H,13-16H2
InChIKeyMPLFVARFQLXGSC-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.55
Rot. Bonds5

About 4-(2-phenoxyethyl)-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one

4-(2-phenoxyethyl)-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134805187) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-(2-phenoxyethyl)-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name4-(2-phenoxyethyl)-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134805187
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name4-(2-phenoxyethyl)-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(-c3ccccc3)nc2CN1CCOc1ccccc1
InChIInChI=1S/C22H20N2O3/c25-22-16-27-21-12-11-19(17-7-3-1-4-8-17)23-20(21)15-24(22)13-14-26-18-9-5-2-6-10-18/h1-12H,13-16H2
InChIKeyMPLFVARFQLXGSC-UHFFFAOYSA-N
XLogP3.55
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-Dimethylpiperidin-1-yl)-2-(2-methylquinolin-8-yl)oxyethanone
CID 4879089
N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 936563
1-Butyl-4-[4-[(2,6-dimethyl-3-pyridinyl)oxy]phenyl]-2-oxopyridine-3-carbonitrile
CID 70689928
4-[(2-fluorophenyl)methyl]-7-(2-phenoxyethylamino)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134806884
2-[methyl-[2-(2-methylquinolin-8-yl)oxyacetyl]amino]-N-(4-methylphenyl)acetamide
CID 4786344
2-(4-Ethylphenoxy)-1-{4-[2-(pyridin-2-YL)ethyl]piperazin-1-YL}ethan-1-one
CID 16015814
2-(2-Methoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 45167388
2-{[[2-(2-Allylphenoxy)ethyl](methyl)amino]methyl}-6-methylpyridin-3-ol
CID 46999688
7-(2-fluoroanilino)-4-[(2-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805201
7-(2-fluoroanilino)-4-[(4-fluorophenyl)methyl]-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805549
4-[(2-fluorophenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805561
4-benzyl-7-(3,5-difluorophenyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134805573

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyethyl)-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 4-(2-phenoxyethyl)-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134805187) is 4-(2-phenoxyethyl)-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 4-(2-phenoxyethyl)-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 4-(2-phenoxyethyl)-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one is O=C1COc2ccc(-c3ccccc3)nc2CN1CCOc1ccccc1.
What is the InChIKey of 4-(2-phenoxyethyl)-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is MPLFVARFQLXGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-22-16-27-21-12-11-19(17-7-3-1-4-8-17)23-20(21)15-24(22)13-14-26-18-9-5-2-6-10-18/h1-12H,13-16H2.
What are the key properties of 4-(2-phenoxyethyl)-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
4-(2-phenoxyethyl)-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 360.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyethyl)-7-phenyl-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134805187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).