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

C22H19FN2O3 — CID 134805893

IUPAC4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(OCc3ccccc3)nc2CN1Cc1ccccc1F
InChIInChI=1S/C22H19FN2O3/c23-18-9-5-4-8-17(18)12-25-13-19-20(27-15-22(25)26)10-11-21(24-19)28-14-16-6-2-1-3-7-16/h1-11H,12-15H2
InChIKeyIKZYFFFTSOAODT-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.72
Rot. Bonds5

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

4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one (PubChem CID 134805893) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one
PubChem CID134805893
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one
SMILESO=C1COc2ccc(OCc3ccccc3)nc2CN1Cc1ccccc1F
InChIInChI=1S/C22H19FN2O3/c23-18-9-5-4-8-17(18)12-25-13-19-20(27-15-22(25)26)10-11-21(24-19)28-14-16-6-2-1-3-7-16/h1-11H,12-15H2
InChIKeyIKZYFFFTSOAODT-UHFFFAOYSA-N
XLogP3.72
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one (CID 134805893) is 4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one is O=C1COc2ccc(OCc3ccccc3)nc2CN1Cc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
The InChIKey is IKZYFFFTSOAODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c23-18-9-5-4-8-17(18)12-25-13-19-20(27-15-22(25)26)10-11-21(24-19)28-14-16-6-2-1-3-7-16/h1-11H,12-15H2.
What are the key properties of 4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one?
4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one has a molecular weight of 378.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-7-phenylmethoxy-5H-pyrido[2,3-f][1,4]oxazepin-3-one is sourced from PubChem (CID 134805893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).