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

C19H19ClN2O2 — CID 90656170

IUPAC5-(3-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2cccc(Cl)c2)CN1c1ccc2c(c1)CCNCC2
InChIInChI=1S/C19H19ClN2O2/c20-16-3-1-2-15(10-16)18-12-22(19(23)24-18)17-5-4-13-6-8-21-9-7-14(13)11-17/h1-5,10-11,18,21H,6-9,12H2
InChIKeyHVMSYLRLICDYHH-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.73
Rot. Bonds2

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

5-(3-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one (PubChem CID 90656170) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one
PubChem CID90656170
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name5-(3-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2cccc(Cl)c2)CN1c1ccc2c(c1)CCNCC2
InChIInChI=1S/C19H19ClN2O2/c20-16-3-1-2-15(10-16)18-12-22(19(23)24-18)17-5-4-13-6-8-21-9-7-14(13)11-17/h1-5,10-11,18,21H,6-9,12H2
InChIKeyHVMSYLRLICDYHH-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

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

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Related Compounds

1-(4-chlorophenyl)ethyl N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67240143
5-phenyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one
CID 90656166
5-(2-fluorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one
CID 90656167
5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one
CID 90656168
5-(2-Chlorophenyl)-3-(3-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 90656172
5-(2-Chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-oxazolidin-2-one
CID 90656174
5-(2-Chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one
CID 90656175
[1-(4-chlorophenyl)-2,2,2-trifluoroethyl] N-(4-pyrrolidin-3-ylphenyl)carbamate
CID 67238677
5-(2-Chlorophenyl)-3-(4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 90656173
benzyl 7-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 44355104
benzyl 7-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
CID 44355263
1-[(R)-2-(o-chlorophenyl)-2-methoxyethyl]-3-(3,4-xylyl)urea
CID 99876262

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(3-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one (CID 90656170) is 5-(3-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(3-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one is O=C1OC(c2cccc(Cl)c2)CN1c1ccc2c(c1)CCNCC2.
What is the InChIKey of 5-(3-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one?
The InChIKey is HVMSYLRLICDYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-16-3-1-2-15(10-16)18-12-22(19(23)24-18)17-5-4-13-6-8-21-9-7-14(13)11-17/h1-5,10-11,18,21H,6-9,12H2.
What are the key properties of 5-(3-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one?
5-(3-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-(3-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90656170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).