4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one

C15H18N2O3 — CID 70273448

IUPAC4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1Cc1ccc2[nH]cc(CCO)c2c1
InChIInChI=1S/C15H18N2O3/c1-17-12(9-20-15(17)19)6-10-2-3-14-13(7-10)11(4-5-18)8-16-14/h2-3,7-8,12,16,18H,4-6,9H2,1H3
InChIKeyGFAGLXWIKBJDDB-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.70
Rot. Bonds4

About 4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one

4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 70273448) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID70273448
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1Cc1ccc2[nH]cc(CCO)c2c1
InChIInChI=1S/C15H18N2O3/c1-17-12(9-20-15(17)19)6-10-2-3-14-13(7-10)11(4-5-18)8-16-14/h2-3,7-8,12,16,18H,4-6,9H2,1H3
InChIKeyGFAGLXWIKBJDDB-UHFFFAOYSA-N
XLogP1.70
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 67665325
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
CID 118042200
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
(4S)-3-methyl-4-[[2-triethylsilyl-3-(2-triethylsilyloxyethyl)-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 10673086
4-[[3-[2-(trideuteriomethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride
CID 154731311
N,N-dimethyl-2-[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]ethanamine oxide
CID 25241756
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrofluoride
CID 71478513
(4S)-4-[[3-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 59719933
3-[5-(methylsulfonylmethyl)-1H-indol-3-yl]propan-1-ol
CID 19921664
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-methylimidazolidine-2,4-dione
CID 10469232
but-2-enedioic acid;4-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 70195986
2-(5-tert-butyl-1H-indol-3-yl)ethanol
CID 82277489

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one (CID 70273448) is 4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one is CN1C(=O)OCC1Cc1ccc2[nH]cc(CCO)c2c1.
What is the InChIKey of 4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is GFAGLXWIKBJDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17-12(9-20-15(17)19)6-10-2-3-14-13(7-10)11(4-5-18)8-16-14/h2-3,7-8,12,16,18H,4-6,9H2,1H3.
What are the key properties of 4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one?
4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70273448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).