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

C12H14ClNO2 — CID 82084411

IUPAC3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(C2CN(CCCl)C(=O)O2)c1
InChIInChI=1S/C12H14ClNO2/c1-9-3-2-4-10(7-9)11-8-14(6-5-13)12(15)16-11/h2-4,7,11H,5-6,8H2,1H3
InChIKeyMAAMEKJVGDILPX-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.73
Rot. Bonds3

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

3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 82084411) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID82084411
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cccc(C2CN(CCCl)C(=O)O2)c1
InChIInChI=1S/C12H14ClNO2/c1-9-3-2-4-10(7-9)11-8-14(6-5-13)12(15)16-11/h2-4,7,11H,5-6,8H2,1H3
InChIKeyMAAMEKJVGDILPX-UHFFFAOYSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1,3-benzodioxol-5-yl)-3-(2-chloroethyl)-1,3-oxazolidin-2-one
CID 82092989
3-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 82088828
(5R)-3-tert-butyl-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 90178842
3-(2-aminoethyl)-5-(3-chlorophenyl)-1,3-oxazolidin-2-one
CID 82084550
(5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one
CID 70899680
5-(3-bromophenyl)-3-ethyl-1,3-oxazolidin-2-one
CID 83903279
3-(2-aminoethyl)-5-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 82079805
2-[5-(3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 83850912
(5S)-5-(3-methylphenyl)-1,3-oxazolidin-2-one
CID 69282063
3-(2-aminoethyl)-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 82077424
5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023087
5-(3-methylphenyl)-2-oxooxolane-3-carbonitrile
CID 82125983

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one (CID 82084411) is 3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one is Cc1cccc(C2CN(CCCl)C(=O)O2)c1.
What is the InChIKey of 3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is MAAMEKJVGDILPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-9-3-2-4-10(7-9)11-8-14(6-5-13)12(15)16-11/h2-4,7,11H,5-6,8H2,1H3.
What are the key properties of 3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one?
3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 239.70 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-5-(3-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 82084411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).