5-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one

C10H10ClNO2 — CID 3046890

IUPAC5-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cc2ccc(Cl)cc2)O1
InChIInChI=1S/C10H10ClNO2/c11-8-3-1-7(2-4-8)5-9-6-12-10(13)14-9/h1-4,9H,5-6H2,(H,12,13)
InChIKeyYOLMADVEGCDUQG-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.99
Rot. Bonds2

About 5-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one

5-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 3046890) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID3046890
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name5-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cc2ccc(Cl)cc2)O1
InChIInChI=1S/C10H10ClNO2/c11-8-3-1-7(2-4-8)5-9-6-12-10(13)14-9/h1-4,9H,5-6H2,(H,12,13)
InChIKeyYOLMADVEGCDUQG-UHFFFAOYSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one (CID 3046890) is 5-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cc2ccc(Cl)cc2)O1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is YOLMADVEGCDUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-3-1-7(2-4-8)5-9-6-12-10(13)14-9/h1-4,9H,5-6H2,(H,12,13).
What are the key properties of 5-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one?
5-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 211.65 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3046890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).