5-(2-chloropropyl)-1,3-oxazolidin-2-one

C6H10ClNO2 — CID 154193468

IUPAC5-(2-chloropropyl)-1,3-oxazolidin-2-one
SMILESCC(Cl)CC1CNC(=O)O1
InChIInChI=1S/C6H10ClNO2/c1-4(7)2-5-3-8-6(9)10-5/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyAGZVNAQZBFWIMK-UHFFFAOYSA-N
MW163.60 g/mol
LogP1.11
Rot. Bonds2

About 5-(2-chloropropyl)-1,3-oxazolidin-2-one

5-(2-chloropropyl)-1,3-oxazolidin-2-one (PubChem CID 154193468) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is 5-(2-chloropropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-chloropropyl)-1,3-oxazolidin-2-one
PubChem CID154193468
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name5-(2-chloropropyl)-1,3-oxazolidin-2-one
SMILESCC(Cl)CC1CNC(=O)O1
InChIInChI=1S/C6H10ClNO2/c1-4(7)2-5-3-8-6(9)10-5/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyAGZVNAQZBFWIMK-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-oxazolidin-2-one
CID 67130959
5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-1,3-oxazolidin-2-one
CID 67351430
5-(2-methoxy-2-phenylethyl)-1,3-oxazolidin-2-one
CID 57077747
(5R)-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 94919826
(5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one
CID 97000604
trimethyl-[[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 73349592
5-(2-fluoroethyl)-1,3-oxazolidin-2-one
CID 67254988
(5S)-5-(methoxymethyl)-1,3-oxazolidin-2-one;sulfane
CID 157467427
butane;5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 143016675
(2R)-2-hydroxy-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]propanamide
CID 130643410
5-(3-aminobutylsulfanylmethyl)-1,3-oxazolidin-2-one
CID 66233469
(5S)-5-but-3-enyl-1,3-oxazolidin-2-one
CID 89405758

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloropropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-chloropropyl)-1,3-oxazolidin-2-one (CID 154193468) is 5-(2-chloropropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-chloropropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-chloropropyl)-1,3-oxazolidin-2-one is CC(Cl)CC1CNC(=O)O1.
What is the InChIKey of 5-(2-chloropropyl)-1,3-oxazolidin-2-one?
The InChIKey is AGZVNAQZBFWIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO2/c1-4(7)2-5-3-8-6(9)10-5/h4-5H,2-3H2,1H3,(H,8,9).
What are the key properties of 5-(2-chloropropyl)-1,3-oxazolidin-2-one?
5-(2-chloropropyl)-1,3-oxazolidin-2-one has a molecular weight of 163.60 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloropropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 154193468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).