2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one

C12H14ClNO2 — CID 15839778

IUPAC2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one
SMILESO=C1CC(CCCl)N(Cc2ccccc2)O1
InChIInChI=1S/C12H14ClNO2/c13-7-6-11-8-12(15)16-14(11)9-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyMJXXAVXEDSUBEE-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.35
Rot. Bonds4

About 2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one

2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one (PubChem CID 15839778) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one.

Molecular Properties

Compound Name2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one
PubChem CID15839778
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one
SMILESO=C1CC(CCCl)N(Cc2ccccc2)O1
InChIInChI=1S/C12H14ClNO2/c13-7-6-11-8-12(15)16-14(11)9-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyMJXXAVXEDSUBEE-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-2-benzyl-3-methyl-1,2-oxazolidin-5-one
CID 13358936
2-benzyl-3-cyclobutyl-1,2-oxazolidin-5-one
CID 86714742
(3aR,6aS)-1,3-dibenzyl-3a,6a-dihydrofuro[3,4-c][1,2,5]oxadiazole-4,6-dione
CID 88671759
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(5S)-1,5-dibenzylpyrazolidin-3-one
CID 102075291
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
(6R)-1,6-dibenzylpiperidine-2,4-dione
CID 54253000
3-benzyl-3-azabicyclo[3.1.1]heptan-6-one
CID 47003605
4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one
CID 117010904
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041
(1S,5S)-9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
CID 98043423
(3S)-2,3-dibenzyl-3,4-dihydroisoquinolin-1-one
CID 160964230

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one?
The IUPAC name of 2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one (CID 15839778) is 2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one.
What is the SMILES notation for 2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one?
The canonical SMILES for 2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one is O=C1CC(CCCl)N(Cc2ccccc2)O1.
What is the InChIKey of 2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one?
The InChIKey is MJXXAVXEDSUBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-7-6-11-8-12(15)16-14(11)9-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one?
2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one has a molecular weight of 239.70 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2-chloroethyl)-1,2-oxazolidin-5-one is sourced from PubChem (CID 15839778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).