5-(2-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one

C18H17ClN2O2 — CID 90656175

IUPAC5-(2-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2Cl)CN1c1ccc2c(c1)CCNC2
InChIInChI=1S/C18H17ClN2O2/c19-16-4-2-1-3-15(16)17-11-21(18(22)23-17)14-6-5-13-10-20-8-7-12(13)9-14/h1-6,9,17,20H,7-8,10-11H2
InChIKeyNWTOGRGGXBLAOZ-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.68
Rot. Bonds2

About 5-(2-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one

5-(2-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 90656175) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one
PubChem CID90656175
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name5-(2-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2Cl)CN1c1ccc2c(c1)CCNC2
InChIInChI=1S/C18H17ClN2O2/c19-16-4-2-1-3-15(16)17-11-21(18(22)23-17)14-6-5-13-10-20-8-7-12(13)9-14/h1-6,9,17,20H,7-8,10-11H2
InChIKeyNWTOGRGGXBLAOZ-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-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 5-(2-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one (CID 90656175) is 5-(2-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one is O=C1OC(c2ccccc2Cl)CN1c1ccc2c(c1)CCNC2.
What is the InChIKey of 5-(2-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one?
The InChIKey is NWTOGRGGXBLAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-16-4-2-1-3-15(16)17-11-21(18(22)23-17)14-6-5-13-10-20-8-7-12(13)9-14/h1-6,9,17,20H,7-8,10-11H2.
What are the key properties of 5-(2-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one?
5-(2-chlorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 328.80 g/mol, XLogP of 3.68, 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-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90656175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).