5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one

C13H15NO4 — CID 107684721

IUPAC5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(COc2ccc3c(c2)CCC3O)O1
InChIInChI=1S/C13H15NO4/c15-12-4-1-8-5-9(2-3-11(8)12)17-7-10-6-14-13(16)18-10/h2-3,5,10,12,15H,1,4,6-7H2,(H,14,16)
InChIKeyYZMQDUDFYJIIPH-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.15
Rot. Bonds3

About 5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one

5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 107684721) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one
PubChem CID107684721
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(COc2ccc3c(c2)CCC3O)O1
InChIInChI=1S/C13H15NO4/c15-12-4-1-8-5-9(2-3-11(8)12)17-7-10-6-14-13(16)18-10/h2-3,5,10,12,15H,1,4,6-7H2,(H,14,16)
InChIKeyYZMQDUDFYJIIPH-UHFFFAOYSA-N
XLogP1.15
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(5S)-5-[[4-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methoxy]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 950474
5-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxymethyl]-1,3-oxazolidin-2-one
CID 63091025
(1R)-5-[(5-methyloxolan-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091323
5-[[(1S)-1-hydroxy-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyrrolidin-2-one
CID 114281692
2-fluoro-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzoic acid
CID 107675374
5-(3-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684542
2-methyl-4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenesulfonamide
CID 82914735
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
5-[[3-(methylaminomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 60882601
3-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]benzenecarboximidamide
CID 141009924
5-(2-cyclopropylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684696
5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684857

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one (CID 107684721) is 5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one is O=C1NCC(COc2ccc3c(c2)CCC3O)O1.
What is the InChIKey of 5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is YZMQDUDFYJIIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12-4-1-8-5-9(2-3-11(8)12)17-7-10-6-14-13(16)18-10/h2-3,5,10,12,15H,1,4,6-7H2,(H,14,16).
What are the key properties of 5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one?
5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 249.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxy-2,3-dihydro-1H-inden-5-yl)oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 107684721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).