3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one

C13H16ClNO2 — CID 161152450

IUPAC3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one
SMILESCC(Cl)CC1CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C13H16ClNO2/c1-10(14)7-12-9-15(13(16)17-12)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyUOWAYTJQMMPIOL-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.02
Rot. Bonds4

About 3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one

3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one (PubChem CID 161152450) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one
PubChem CID161152450
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one
SMILESCC(Cl)CC1CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C13H16ClNO2/c1-10(14)7-12-9-15(13(16)17-12)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyUOWAYTJQMMPIOL-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

3-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 58532625
(5S)-3-benzyl-2-oxo-1,3-oxazolidine-5-carbaldehyde
CID 10954695
(5R)-3-benzyl-5-[(1R)-1-hydroxybutyl]-1,3-oxazolidin-2-one
CID 50901183
3-benzyl-5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
CID 2793994
(5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one
CID 122420073
5-(aminomethyl)-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023087
5-(2-aminoethyl)-3-[(3-chlorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060020
3-benzyl-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 117274608
1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
CID 59057333
5-(aminomethyl)-3-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 82023092
(5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde
CID 86620493
5-(3-aminopropyl)-3-[(4-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060074

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one (CID 161152450) is 3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one is CC(Cl)CC1CN(Cc2ccccc2)C(=O)O1.
What is the InChIKey of 3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one?
The InChIKey is UOWAYTJQMMPIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-10(14)7-12-9-15(13(16)17-12)8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of 3-benzyl-5-(2-chloropropyl)-1,3-oxazolidin-2-one?
3-benzyl-5-(2-chloropropyl)-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-chloropropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 161152450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).