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

C16H20N2O3 — CID 67665325

IUPAC4-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1Cc1ccc2[nH]cc(CCCO)c2c1
InChIInChI=1S/C16H20N2O3/c1-18-13(10-21-16(18)20)7-11-4-5-15-14(8-11)12(9-17-15)3-2-6-19/h4-5,8-9,13,17,19H,2-3,6-7,10H2,1H3
InChIKeyWHJLSDOZFALGJE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.09
Rot. Bonds5

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

4-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 67665325) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID67665325
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1Cc1ccc2[nH]cc(CCCO)c2c1
InChIInChI=1S/C16H20N2O3/c1-18-13(10-21-16(18)20)7-11-4-5-15-14(8-11)12(9-17-15)3-2-6-19/h4-5,8-9,13,17,19H,2-3,6-7,10H2,1H3
InChIKeyWHJLSDOZFALGJE-UHFFFAOYSA-N
XLogP2.09
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 70273448
3-[5-(methylsulfonylmethyl)-1H-indol-3-yl]propan-1-ol
CID 19921664
1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 10660550
(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
3-(3-hydroxypropyl)-1H-indole-5-carboxylic acid
CID 19921669
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
CID 118042200
(4S)-4-[[3-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 59719933
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-methylimidazolidine-2,4-dione
CID 10469232

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one (CID 67665325) is 4-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one is CN1C(=O)OCC1Cc1ccc2[nH]cc(CCCO)c2c1.
What is the InChIKey of 4-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is WHJLSDOZFALGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18-13(10-21-16(18)20)7-11-4-5-15-14(8-11)12(9-17-15)3-2-6-19/h4-5,8-9,13,17,19H,2-3,6-7,10H2,1H3.
What are the key properties of 4-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one?
4-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 288.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-hydroxypropyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67665325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).