5-(3-chlorophenyl)-1,3-oxazolidine-2,4-dione

C9H6ClNO3 — CID 13092006

IUPAC5-(3-chlorophenyl)-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cccc(Cl)c2)O1
InChIInChI=1S/C9H6ClNO3/c10-6-3-1-2-5(4-6)7-8(12)11-9(13)14-7/h1-4,7H,(H,11,12,13)
InChIKeyPXYQVBQLMHTRMN-UHFFFAOYSA-N
MW211.60 g/mol
LogP1.65
Rot. Bonds1

About 5-(3-chlorophenyl)-1,3-oxazolidine-2,4-dione

5-(3-chlorophenyl)-1,3-oxazolidine-2,4-dione (PubChem CID 13092006) has the molecular formula C9H6ClNO3 and a molecular weight of 211.60 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1,3-oxazolidine-2,4-dione
PubChem CID13092006
Molecular FormulaC9H6ClNO3
Molecular Weight211.60 g/mol
Exact Mass211.00
IUPAC Name5-(3-chlorophenyl)-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cccc(Cl)c2)O1
InChIInChI=1S/C9H6ClNO3/c10-6-3-1-2-5(4-6)7-8(12)11-9(13)14-7/h1-4,7H,(H,11,12,13)
InChIKeyPXYQVBQLMHTRMN-UHFFFAOYSA-N
XLogP1.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(3-chlorophenyl)-1,3-oxazolidine-2,4-dione (CID 13092006) is 5-(3-chlorophenyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(3-chlorophenyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(3-chlorophenyl)-1,3-oxazolidine-2,4-dione is O=C1NC(=O)C(c2cccc(Cl)c2)O1.
What is the InChIKey of 5-(3-chlorophenyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is PXYQVBQLMHTRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3/c10-6-3-1-2-5(4-6)7-8(12)11-9(13)14-7/h1-4,7H,(H,11,12,13).
What are the key properties of 5-(3-chlorophenyl)-1,3-oxazolidine-2,4-dione?
5-(3-chlorophenyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 211.60 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 13092006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).