3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone

C18H15N3O3 — CID 167798280

IUPAC3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccn2)no1)N1CCCOc2ccccc21
InChIInChI=1S/C18H15N3O3/c22-18(17-12-14(20-24-17)13-6-3-4-9-19-13)21-10-5-11-23-16-8-2-1-7-15(16)21/h1-4,6-9,12H,5,10-11H2
InChIKeyDDKUPHBWYDHTCU-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.17
Rot. Bonds2

About 3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone

3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone (PubChem CID 167798280) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
PubChem CID167798280
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
SMILESO=C(c1cc(-c2ccccn2)no1)N1CCCOc2ccccc21
InChIInChI=1S/C18H15N3O3/c22-18(17-12-14(20-24-17)13-6-3-4-9-19-13)21-10-5-11-23-16-8-2-1-7-15(16)21/h1-4,6-9,12H,5,10-11H2
InChIKeyDDKUPHBWYDHTCU-UHFFFAOYSA-N
XLogP3.17
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-bromo-2-pyridinyl)-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)methanone
CID 107519275
3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride
CID 82371405
(4-cyclopentyl-1,4-diazepan-1-yl)-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 71925428
3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(2,5-dihydroxyphenyl)methanone
CID 107723594
3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(2,4-dihydroxyphenyl)methanone
CID 103954419
2,3-dihydro-1,4-benzoxazin-4-yl-[3-(1-phenylethyl)-1,2-oxazol-5-yl]methanone
CID 45187466
3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(5-iodothiophen-3-yl)methanone
CID 112703214
[(2S)-2-[(E)-2-phenylethenyl]pyrrolidin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 129358849
4-azatricyclo[5.2.1.02,6]decan-4-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 128536760
2,3-dihydro-1,4-benzoxazin-4-yl-[3-[(2S)-2-phenylpropyl]-1,2-oxazol-5-yl]methanone
CID 42418575
(3S,4S)-4-methyl-1-(3-pyridin-2-yl-1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 122112227
methyl 3,4-dihydro-2H-1,5-benzoxazepine-5-carboxylate
CID 66829621

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone (CID 167798280) is 3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone is O=C(c1cc(-c2ccccn2)no1)N1CCCOc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is DDKUPHBWYDHTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-18(17-12-14(20-24-17)13-6-3-4-9-19-13)21-10-5-11-23-16-8-2-1-7-15(16)21/h1-4,6-9,12H,5,10-11H2.
What are the key properties of 3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone?
3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 321.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 167798280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).