3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one

C12H14ClNO3 — CID 115064794

IUPAC3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCO)CN(c2ccccc2Cl)C(=O)O1
InChIInChI=1S/C12H14ClNO3/c1-12(6-7-15)8-14(11(16)17-12)10-5-3-2-4-9(10)13/h2-5,15H,6-8H2,1H3
InChIKeySJAYAWTVIQQRBX-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.44
Rot. Bonds3

About 3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one

3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one (PubChem CID 115064794) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one
PubChem CID115064794
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCO)CN(c2ccccc2Cl)C(=O)O1
InChIInChI=1S/C12H14ClNO3/c1-12(6-7-15)8-14(11(16)17-12)10-5-3-2-4-9(10)13/h2-5,15H,6-8H2,1H3
InChIKeySJAYAWTVIQQRBX-UHFFFAOYSA-N
XLogP2.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one
CID 115064715
3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one
CID 115064779
5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115065215
1-(2-chlorophenyl)-3,3,5,5-tetramethylpiperazin-2-one
CID 117023841
4-(2-chlorophenyl)-6-(3-hydroxypropyl)morpholin-3-one
CID 117008859
5-(2-hydroxyethyl)-5-methyl-3-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 115064821
4-(2-fluorophenyl)-6-(hydroxymethyl)-6-methylmorpholin-3-one
CID 115067563
3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione
CID 56693031
4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one
CID 117009643
(3aS,4S,7S,7aS)-2-(2-chlorophenyl)-4-(hydroxymethyl)-7-methyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 98104144
1-(2-chlorophenyl)-3-[4-hydroxybutyl(methyl)amino]pyrrolidin-2-one
CID 111113627
1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one
CID 111976754

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one (CID 115064794) is 3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one is CC1(CCO)CN(c2ccccc2Cl)C(=O)O1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is SJAYAWTVIQQRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-12(6-7-15)8-14(11(16)17-12)10-5-3-2-4-9(10)13/h2-5,15H,6-8H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one?
3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 255.70 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).