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

C11H11Cl2NO2 — CID 19911452

IUPAC5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCCl)CN1c1cccc(Cl)c1
InChIInChI=1S/C11H11Cl2NO2/c12-5-4-10-7-14(11(15)16-10)9-3-1-2-8(13)6-9/h1-3,6,10H,4-5,7H2
InChIKeyBMCCEWRNTODLDE-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.29
Rot. Bonds3

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

5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one (PubChem CID 19911452) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is 5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one
PubChem CID19911452
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCCl)CN1c1cccc(Cl)c1
InChIInChI=1S/C11H11Cl2NO2/c12-5-4-10-7-14(11(15)16-10)9-3-1-2-8(13)6-9/h1-3,6,10H,4-5,7H2
InChIKeyBMCCEWRNTODLDE-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.29
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

3-Phenyl-2-oxazolidinone
CID 136547
3-(3-Chlorophenyl)-5-hexyloxazolidin-2-one
CID 44155642
Carbanilic acid, m-chloro-, 4-(1-pyrrolidinyl)-2-butynyl ester
CID 27574
3-(4-Chlorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 207136
5-(Chloromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 11830733
(3-Chloro-phenyl)-carbamic acid 2-methoxycarbonylamino-1-methyl-ethyl ester
CID 647215
3-(3-Chlorophenyl)-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
CID 975693
3-(4-Chlorophenyl)-5-hexyloxazolidin-2-one
CID 44155643
3-(3-Chlorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 206118
3-(3,4-Dichlorophenyl)-5-(hydroxymethyl)-2-oxazolidinone
CID 206119
N-[2-[(3-chloroanilino)-oxomethoxy]ethyl]carbamic acid propan-2-yl ester
CID 656183
2-Oxazolidinone, 3-(4-chlorophenyl)-
CID 458729

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one (CID 19911452) is 5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one is O=C1OC(CCCl)CN1c1cccc(Cl)c1.
What is the InChIKey of 5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is BMCCEWRNTODLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c12-5-4-10-7-14(11(15)16-10)9-3-1-2-8(13)6-9/h1-3,6,10H,4-5,7H2.
What are the key properties of 5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one?
5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 260.12 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-3-(3-chlorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 19911452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).