3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one

C20H22N2O2 — CID 56799193

IUPAC3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCN1Cc2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C20H22N2O2/c23-20-22(12-13-24-20)11-10-21-14-17-8-4-5-9-18(17)19(15-21)16-6-2-1-3-7-16/h1-9,19H,10-15H2
InChIKeyBBDKLKDHBCKXJA-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.09
Rot. Bonds4

About 3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one

3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 56799193) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID56799193
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCN1Cc2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C20H22N2O2/c23-20-22(12-13-24-20)11-10-21-14-17-8-4-5-9-18(17)19(15-21)16-6-2-1-3-7-16/h1-9,19H,10-15H2
InChIKeyBBDKLKDHBCKXJA-UHFFFAOYSA-N
XLogP3.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one (CID 56799193) is 3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCN1Cc2ccccc2C(c2ccccc2)C1.
What is the InChIKey of 3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is BBDKLKDHBCKXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20-22(12-13-24-20)11-10-21-14-17-8-4-5-9-18(17)19(15-21)16-6-2-1-3-7-16/h1-9,19H,10-15H2.
What are the key properties of 3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one?
3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 322.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56799193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).