[2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride

C6H13ClN2O3 — CID 10888858

IUPAC[2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride
SMILES[Cl-].[NH3+]C1CON(CCCO)C1=O
InChIInChI=1S/C6H12N2O3.ClH/c7-5-4-11-8(6(5)10)2-1-3-9;/h5,9H,1-4,7H2;1H
InChIKeyGWYTVRZBGSNNNW-UHFFFAOYSA-N
MW196.63 g/mol
LogP-5.24
Rot. Bonds3

About [2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride

[2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride (PubChem CID 10888858) has the molecular formula C6H13ClN2O3 and a molecular weight of 196.63 g/mol. Its IUPAC name is [2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride.

Molecular Properties

Compound Name[2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride
PubChem CID10888858
Molecular FormulaC6H13ClN2O3
Molecular Weight196.63 g/mol
Exact Mass196.06
IUPAC Name[2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride
SMILES[Cl-].[NH3+]C1CON(CCCO)C1=O
InChIInChI=1S/C6H12N2O3.ClH/c7-5-4-11-8(6(5)10)2-1-3-9;/h5,9H,1-4,7H2;1H
InChIKeyGWYTVRZBGSNNNW-UHFFFAOYSA-N
XLogP-5.24
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 5-5.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride with MolForge

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Related Compounds

2-(3-hydroxypropyl)oxazinan-3-one
CID 105431183
1-(3-hydroxypropyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
CID 58435316
6-(hydroxymethyl)-3-(3-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115010058
3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115102311
4-bromo-2-propyl-1,2-oxazolidin-3-one
CID 54306336
(4R,7R)-2-(6-hydroxyhexyl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 24988920
5-cyclobutyl-2-(3-hydroxypropyl)-5-methyl-1,2-oxazolidin-3-one
CID 105466800
(1R,2R,6S,7S)-4-(4-hydroxybutyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 177339949
3-(3-hydroxypropyl)-4-(2-sulfanylpropan-2-yl)-1,3-oxazolidin-2-one
CID 18768682
2-(3-hydroxypropyl)-1,2-oxazolidin-5-one
CID 105428747
(1R,2R,6S,7S)-4-(5-hydroxypentyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 135367218
(2R,6S)-4-(6-hydroxyhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 90353934

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride?
The IUPAC name of [2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride (CID 10888858) is [2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride.
What is the SMILES notation for [2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride?
The canonical SMILES for [2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride is [Cl-].[NH3+]C1CON(CCCO)C1=O.
What is the InChIKey of [2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride?
The InChIKey is GWYTVRZBGSNNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3.ClH/c7-5-4-11-8(6(5)10)2-1-3-9;/h5,9H,1-4,7H2;1H.
What are the key properties of [2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride?
[2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride has a molecular weight of 196.63 g/mol, XLogP of -5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxypropyl)-3-oxo-1,2-oxazolidin-4-yl]azanium chloride is sourced from PubChem (CID 10888858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).