3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone

C21H18N2O2 — CID 90091575

IUPAC3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone
SMILESO=C(c1cccc(-c2ccccc2)c1)N1CCOc2ccncc2C1
InChIInChI=1S/C21H18N2O2/c24-21(23-11-12-25-20-9-10-22-14-19(20)15-23)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-10,13-14H,11-12,15H2
InChIKeyLCKAJAYBWJWZOV-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.78
Rot. Bonds2

About 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone

3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone (PubChem CID 90091575) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone.

Molecular Properties

Compound Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone
PubChem CID90091575
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone
SMILESO=C(c1cccc(-c2ccccc2)c1)N1CCOc2ccncc2C1
InChIInChI=1S/C21H18N2O2/c24-21(23-11-12-25-20-9-10-22-14-19(20)15-23)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-10,13-14H,11-12,15H2
InChIKeyLCKAJAYBWJWZOV-UHFFFAOYSA-N
XLogP3.78
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone?
The IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone (CID 90091575) is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone.
What is the SMILES notation for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone?
The canonical SMILES for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone is O=C(c1cccc(-c2ccccc2)c1)N1CCOc2ccncc2C1.
What is the InChIKey of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone?
The InChIKey is LCKAJAYBWJWZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c24-21(23-11-12-25-20-9-10-22-14-19(20)15-23)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-10,13-14H,11-12,15H2.
What are the key properties of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone?
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone has a molecular weight of 330.39 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(3-phenylphenyl)methanone is sourced from PubChem (CID 90091575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).