3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one

C13H17ClN2O2 — CID 134018841

IUPAC3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one
SMILESCN(CCN1CCOC1=O)Cc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-15(6-7-16-8-9-18-13(16)17)10-11-4-2-3-5-12(11)14/h2-5H,6-10H2,1H3
InChIKeyRIRNIAFDFFYBQU-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.22
Rot. Bonds5

About 3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one

3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 134018841) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one
PubChem CID134018841
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one
SMILESCN(CCN1CCOC1=O)Cc1ccccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-15(6-7-16-8-9-18-13(16)17)10-11-4-2-3-5-12(11)14/h2-5H,6-10H2,1H3
InChIKeyRIRNIAFDFFYBQU-UHFFFAOYSA-N
XLogP2.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one
CID 96535670
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
3-[2-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one
CID 86788885
2-chloro-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
CID 110707207
3-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]ethyl]-1,3-oxazolidin-2-one
CID 84594246
2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride
CID 22151120
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374414
2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719354
2-chloro-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 112616281
5-chloro-N-[(2-chlorophenyl)methyl]-N-methylpentan-1-amine
CID 61416820
5-[(2-chlorophenyl)methyl-methylamino]pentanenitrile
CID 60692186

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one (CID 134018841) is 3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one is CN(CCN1CCOC1=O)Cc1ccccc1Cl.
What is the InChIKey of 3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is RIRNIAFDFFYBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-15(6-7-16-8-9-18-13(16)17)10-11-4-2-3-5-12(11)14/h2-5H,6-10H2,1H3.
What are the key properties of 3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one?
3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 268.74 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134018841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).