5-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione

C15H16ClNO4 — CID 177336623

IUPAC5-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione
SMILESCCOc1c(Cl)cc2c(c1C1OC(=O)NC1=O)CCCC2
InChIInChI=1S/C15H16ClNO4/c1-2-20-12-10(16)7-8-5-3-4-6-9(8)11(12)13-14(18)17-15(19)21-13/h7,13H,2-6H2,1H3,(H,17,18,19)
InChIKeyOGRGAMXPBLZAMG-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.92
Rot. Bonds3

About 5-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione

5-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 177336623) has the molecular formula C15H16ClNO4 and a molecular weight of 309.75 g/mol. Its IUPAC name is 5-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione
PubChem CID177336623
Molecular FormulaC15H16ClNO4
Molecular Weight309.75 g/mol
Exact Mass309.08
IUPAC Name5-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione
SMILESCCOc1c(Cl)cc2c(c1C1OC(=O)NC1=O)CCCC2
InChIInChI=1S/C15H16ClNO4/c1-2-20-12-10(16)7-8-5-3-4-6-9(8)11(12)13-14(18)17-15(19)21-13/h7,13H,2-6H2,1H3,(H,17,18,19)
InChIKeyOGRGAMXPBLZAMG-UHFFFAOYSA-N
XLogP2.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione 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-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione (CID 177336623) is 5-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione is CCOc1c(Cl)cc2c(c1C1OC(=O)NC1=O)CCCC2.
What is the InChIKey of 5-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione?
The InChIKey is OGRGAMXPBLZAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4/c1-2-20-12-10(16)7-8-5-3-4-6-9(8)11(12)13-14(18)17-15(19)21-13/h7,13H,2-6H2,1H3,(H,17,18,19).
What are the key properties of 5-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione?
5-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 309.75 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-ethoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 177336623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).