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

C11H8N2O3 — CID 125484828

IUPAC(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](c2c[nH]c3ccccc23)O1
InChIInChI=1S/C11H8N2O3/c14-10-9(16-11(15)13-10)7-5-12-8-4-2-1-3-6(7)8/h1-5,9,12H,(H,13,14,15)/t9-/m0/s1
InChIKeyDDWRAUMWZIQKQB-VIFPVBQESA-N
MW216.20 g/mol
LogP1.48
Rot. Bonds1

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

(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 125484828) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is (5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
PubChem CID125484828
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
SMILESO=C1NC(=O)[C@H](c2c[nH]c3ccccc23)O1
InChIInChI=1S/C11H8N2O3/c14-10-9(16-11(15)13-10)7-5-12-8-4-2-1-3-6(7)8/h1-5,9,12H,(H,13,14,15)/t9-/m0/s1
InChIKeyDDWRAUMWZIQKQB-VIFPVBQESA-N
XLogP1.48
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484827
(5S)-5-(4-chloro-1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484825
(3S)-3-(1H-indol-3-yl)-3H-2-benzofuran-1-one
CID 36690022
2-(1H-indol-3-yl)-4H-1,4-benzothiazin-3-one
CID 4794447
(5S,6S)-5-(1H-indol-3-yl)-6-methyloxan-2-one
CID 10376523
3-(1H-indol-3-yl)oxiran-2-ol
CID 123804780
3-imino-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 56977887
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride
CID 162329662
(3R,4S)-4-(1H-indol-3-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 15516005
(5R)-3,5-bis(1H-indol-3-yl)piperazin-2-one
CID 22833237
4-bromo-3-(1H-indol-3-yl)-1,3-dihydroindol-2-one
CID 155758572

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of (5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione (CID 125484828) is (5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione is O=C1NC(=O)[C@H](c2c[nH]c3ccccc23)O1.
What is the InChIKey of (5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione?
The InChIKey is DDWRAUMWZIQKQB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H8N2O3/c14-10-9(16-11(15)13-10)7-5-12-8-4-2-1-3-6(7)8/h1-5,9,12H,(H,13,14,15)/t9-/m0/s1.
What are the key properties of (5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione?
(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 216.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 125484828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).