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

C23H21FN2O4 — CID 134808621

IUPAC7-[(4-fluorophenyl)methoxy]-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(OCc3ccc(F)cc3)nc2CN1CCOc1ccccc1
InChIInChI=1S/C23H21FN2O4/c24-18-8-6-17(7-9-18)15-30-22-11-10-21-20(25-22)14-26(23(27)16-29-21)12-13-28-19-4-2-1-3-5-19/h1-11H,12-16H2
InChIKeyKAIZPPYLHRKGMO-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.60
Rot. Bonds7

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

7-[(4-fluorophenyl)methoxy]-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134808621) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134808621
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name7-[(4-fluorophenyl)methoxy]-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(OCc3ccc(F)cc3)nc2CN1CCOc1ccccc1
InChIInChI=1S/C23H21FN2O4/c24-18-8-6-17(7-9-18)15-30-22-11-10-21-20(25-22)14-26(23(27)16-29-21)12-13-28-19-4-2-1-3-5-19/h1-11H,12-16H2
InChIKeyKAIZPPYLHRKGMO-UHFFFAOYSA-N
XLogP3.60
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(4-fluorophenyl)methoxy]-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one with MolForge

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Related Compounds

4-[(2-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5H-pyrido[2,3-f][1,4]oxazepin-3-one
CID 134808607
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
3-[4-[(4-fluorophenyl)methyl]-3-oxo-5H-pyrido[2,3-f][1,4]oxazepin-7-yl]benzamide
CID 134808627
6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one
CID 110831575
2-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 141400148
5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one
CID 664461
1-(2-phenoxyethyl)piperazine-2,6-dione
CID 66062056
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
4-[2-(4-fluorophenoxy)ethyl]-1,4-oxazepan-5-one
CID 72940136
3-ethyl-1-(4-phenylmethoxypyrimidin-2-yl)imidazolidin-4-one
CID 133499773
4-[[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]methyl]-1,4-benzoxazin-3-one
CID 53210114
1-[2-(4-fluorophenoxy)ethyl]-2,3-dihydroindole
CID 82089229

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134808621) is 7-[(4-fluorophenyl)methoxy]-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is O=C1COc2ccc(OCc3ccc(F)cc3)nc2CN1CCOc1ccccc1.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is KAIZPPYLHRKGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c24-18-8-6-17(7-9-18)15-30-22-11-10-21-20(25-22)14-26(23(27)16-29-21)12-13-28-19-4-2-1-3-5-19/h1-11H,12-16H2.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
7-[(4-fluorophenyl)methoxy]-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 408.43 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-4-(2-phenoxyethyl)-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134808621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).