3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-oxazolidin-2-one

C13H16ClNO2 — CID 154089847

IUPAC3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC1C(CCCl)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H16ClNO2/c1-10-12(7-8-14)17-13(16)15(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyMKDANWDOLVIBSN-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.02
Rot. Bonds4

About 3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-oxazolidin-2-one

3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 154089847) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID154089847
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCC1C(CCCl)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H16ClNO2/c1-10-12(7-8-14)17-13(16)15(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyMKDANWDOLVIBSN-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.02
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-(Chloromethyl)-3-(2,6-dichlorobenzyl)-1,3-oxazolidin-2-one
CID 5244385
2-(Pyrrolidin-1-yl)ethyl hydrogen (1-phenylethyl)carbonimidate--hydrogen chloride (1/1)
CID 58040
(R)-N-Boc-2-phenylpyrrolidine
CID 24859471
(R)-3-(4-((cyclohexyl(methyl)amino)methyl)benzyl)-5-methyloxazolidin-2-one
CID 44591685
(5R)-5-methyl-3-(4-(1-(piperidin-1-yl)ethyl)benzyl)oxazolidin-2-one
CID 44591686
3-(1-Benzyl-piperidin-4-yl)-oxazolidin-2-one
CID 13060626
Tert-butyl 2-phenylpyrrolidine-1-carboxylate
CID 3772557
3-Benzyl-1,3-oxazolidin-2-one
CID 10487528
3-Benzyl-5-methylidene-1,3-oxazolidin-2-one
CID 13925892
3-Benzyl-5-fluoro-1,3-oxazolidin-2-one
CID 23656676
3-[1-(4-Fluorophenyl)ethyl]-1,3-oxazolidin-2-one
CID 85872481
(5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one
CID 10655764

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-oxazolidin-2-one (CID 154089847) is 3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-oxazolidin-2-one is CC1C(CCCl)OC(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is MKDANWDOLVIBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-10-12(7-8-14)17-13(16)15(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of 3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-oxazolidin-2-one?
3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 253.73 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(2-chloroethyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 154089847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).