(5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one

C11H12ClNO2 — CID 70899680

IUPAC(5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one
SMILESCCN1C[C@@H](c2cccc(Cl)c2)OC1=O
InChIInChI=1S/C11H12ClNO2/c1-2-13-7-10(15-11(13)14)8-4-3-5-9(12)6-8/h3-6,10H,2,7H2,1H3/t10-/m0/s1
InChIKeyPKCPEUPODVRNRM-JTQLQIEISA-N
MW225.68 g/mol
LogP2.85
Rot. Bonds2

About (5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one

(5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one (PubChem CID 70899680) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is (5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one
PubChem CID70899680
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name(5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one
SMILESCCN1C[C@@H](c2cccc(Cl)c2)OC1=O
InChIInChI=1S/C11H12ClNO2/c1-2-13-7-10(15-11(13)14)8-4-3-5-9(12)6-8/h3-6,10H,2,7H2,1H3/t10-/m0/s1
InChIKeyPKCPEUPODVRNRM-JTQLQIEISA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one (CID 70899680) is (5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one is CCN1C[C@@H](c2cccc(Cl)c2)OC1=O.
What is the InChIKey of (5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one?
The InChIKey is PKCPEUPODVRNRM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-2-13-7-10(15-11(13)14)8-4-3-5-9(12)6-8/h3-6,10H,2,7H2,1H3/t10-/m0/s1.
What are the key properties of (5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one?
(5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one has a molecular weight of 225.68 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-chlorophenyl)-3-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70899680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).