(5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione

C11H7ClN2O3 — CID 125484825

IUPAC(5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](c2c[nH]c3cccc(Cl)c23)O1
InChIInChI=1S/C11H7ClN2O3/c12-6-2-1-3-7-8(6)5(4-13-7)9-10(15)14-11(16)17-9/h1-4,9,13H,(H,14,15,16)/t9-/m0/s1
InChIKeyCQWSXQLRCQKIKK-VIFPVBQESA-N
MW250.64 g/mol
LogP2.13
Rot. Bonds1

About (5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione

(5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 125484825) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is (5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
PubChem CID125484825
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name(5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](c2c[nH]c3cccc(Cl)c23)O1
InChIInChI=1S/C11H7ClN2O3/c12-6-2-1-3-7-8(6)5(4-13-7)9-10(15)14-11(16)17-9/h1-4,9,13H,(H,14,15,16)/t9-/m0/s1
InChIKeyCQWSXQLRCQKIKK-VIFPVBQESA-N
XLogP2.13
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S)-5-(4-chloro-1H-indol-3-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 (5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione (CID 125484825) is (5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione is O=C1NC(=O)[C@H](c2c[nH]c3cccc(Cl)c23)O1.
What is the InChIKey of (5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione?
The InChIKey is CQWSXQLRCQKIKK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-6-2-1-3-7-8(6)5(4-13-7)9-10(15)14-11(16)17-9/h1-4,9,13H,(H,14,15,16)/t9-/m0/s1.
What are the key properties of (5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione?
(5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 250.64 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 125484825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).