5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one

C19H19ClN2O2 — CID 90656168

IUPAC5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2Cl)CN1c1ccc2c(c1)CCNCC2
InChIInChI=1S/C19H19ClN2O2/c20-17-4-2-1-3-16(17)18-12-22(19(23)24-18)15-6-5-13-7-9-21-10-8-14(13)11-15/h1-6,11,18,21H,7-10,12H2
InChIKeyAOCRQCFKVGZSSD-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.73
Rot. Bonds2

About 5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one

5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one (PubChem CID 90656168) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one
PubChem CID90656168
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2Cl)CN1c1ccc2c(c1)CCNCC2
InChIInChI=1S/C19H19ClN2O2/c20-17-4-2-1-3-16(17)18-12-22(19(23)24-18)15-6-5-13-7-9-21-10-8-14(13)11-15/h1-6,11,18,21H,7-10,12H2
InChIKeyAOCRQCFKVGZSSD-UHFFFAOYSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one (CID 90656168) is 5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one is O=C1OC(c2ccccc2Cl)CN1c1ccc2c(c1)CCNCC2.
What is the InChIKey of 5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one?
The InChIKey is AOCRQCFKVGZSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-17-4-2-1-3-16(17)18-12-22(19(23)24-18)15-6-5-13-7-9-21-10-8-14(13)11-15/h1-6,11,18,21H,7-10,12H2.
What are the key properties of 5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one?
5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one has a molecular weight of 342.83 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90656168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).