2-chloro-1-(1,3-oxazolidin-2-yl)ethanone

C5H8ClNO2 — CID 23220108

IUPAC2-chloro-1-(1,3-oxazolidin-2-yl)ethanone
SMILESO=C(CCl)C1NCCO1
InChIInChI=1S/C5H8ClNO2/c6-3-4(8)5-7-1-2-9-5/h5,7H,1-3H2
InChIKeyUCSVCTBGUQIAOI-UHFFFAOYSA-N
MW149.58 g/mol
LogP-0.26
Rot. Bonds2

About 2-chloro-1-(1,3-oxazolidin-2-yl)ethanone

2-chloro-1-(1,3-oxazolidin-2-yl)ethanone (PubChem CID 23220108) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is 2-chloro-1-(1,3-oxazolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(1,3-oxazolidin-2-yl)ethanone
PubChem CID23220108
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC Name2-chloro-1-(1,3-oxazolidin-2-yl)ethanone
SMILESO=C(CCl)C1NCCO1
InChIInChI=1S/C5H8ClNO2/c6-3-4(8)5-7-1-2-9-5/h5,7H,1-3H2
InChIKeyUCSVCTBGUQIAOI-UHFFFAOYSA-N
XLogP-0.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-1,3-oxazolidine-2-carboxylic acid
CID 69270912
2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid
CID 174974920
1,3-oxazolidin-2-yl(phenyl)methanone
CID 154118649
(2S)-1,3-oxazinane-2-carboxylic acid
CID 142515360
isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone
CID 175012058
1-morpholin-3-ylpropan-1-one
CID 54487560
1-(3-morpholin-4-ylmorpholin-2-yl)propan-1-one
CID 18678964
2-(1,3-oxazolidin-2-ylmethyl)prop-2-enoic acid
CID 68522926
2-hydroxymorpholine-3-sulfonic acid
CID 100916950
3-chloro-N-(1,4-dioxepan-6-yl)propanamide
CID 130658722
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
1,3-oxazinan-2-yl(phenyl)methanone
CID 121217862

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1,3-oxazolidin-2-yl)ethanone?
The IUPAC name of 2-chloro-1-(1,3-oxazolidin-2-yl)ethanone (CID 23220108) is 2-chloro-1-(1,3-oxazolidin-2-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(1,3-oxazolidin-2-yl)ethanone?
The canonical SMILES for 2-chloro-1-(1,3-oxazolidin-2-yl)ethanone is O=C(CCl)C1NCCO1.
What is the InChIKey of 2-chloro-1-(1,3-oxazolidin-2-yl)ethanone?
The InChIKey is UCSVCTBGUQIAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO2/c6-3-4(8)5-7-1-2-9-5/h5,7H,1-3H2.
What are the key properties of 2-chloro-1-(1,3-oxazolidin-2-yl)ethanone?
2-chloro-1-(1,3-oxazolidin-2-yl)ethanone has a molecular weight of 149.58 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1,3-oxazolidin-2-yl)ethanone is sourced from PubChem (CID 23220108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).