3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one

C19H20N2O3 — CID 56941756

IUPAC3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc2c(c1)CN(Cc1ccccc1)CCO2
InChIInChI=1S/C19H20N2O3/c22-19-21(9-11-24-19)17-6-7-18-16(12-17)14-20(8-10-23-18)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2
InChIKeyWIIIRUJCZWAVCS-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.04
Rot. Bonds3

About 3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one

3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one (PubChem CID 56941756) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one
PubChem CID56941756
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc2c(c1)CN(Cc1ccccc1)CCO2
InChIInChI=1S/C19H20N2O3/c22-19-21(9-11-24-19)17-6-7-18-16(12-17)14-20(8-10-23-18)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2
InChIKeyWIIIRUJCZWAVCS-UHFFFAOYSA-N
XLogP3.04
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

4-benzyl-7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 25123076
4-benzyl-N-[(4-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-7-carboxamide
CID 50843841
3-[(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]benzoic acid
CID 122034197
2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetaldehyde
CID 57444342
3-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 102377598
(1S)-1-[4-[(3,5-difluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenylethanol
CID 42348143
ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one
CID 142959710
3-phenyl-1-[4-(pyridin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propan-1-ol
CID 126464804
3-[[7-[(1R)-1-hydroxy-2-phenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol
CID 42167027
3-[[7-[(1S)-1-hydroxy-2-phenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol
CID 42167023
N-[(1-benzylpiperidin-4-yl)methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 99841245
2-[[7-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid
CID 77097937

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one (CID 56941756) is 3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc2c(c1)CN(Cc1ccccc1)CCO2.
What is the InChIKey of 3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one?
The InChIKey is WIIIRUJCZWAVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-19-21(9-11-24-19)17-6-7-18-16(12-17)14-20(8-10-23-18)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2.
What are the key properties of 3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one?
3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one has a molecular weight of 324.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 56941756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).