3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one

C11H11ClN2O2 — CID 54192964

IUPAC3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCl)CN1N=Cc1ccccc1
InChIInChI=1S/C11H11ClN2O2/c12-6-10-8-14(11(15)16-10)13-7-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2
InChIKeyPJUGABRSWMTWBT-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.08
Rot. Bonds3

About 3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one

3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one (PubChem CID 54192964) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one
PubChem CID54192964
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCl)CN1N=Cc1ccccc1
InChIInChI=1S/C11H11ClN2O2/c12-6-10-8-14(11(15)16-10)13-7-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2
InChIKeyPJUGABRSWMTWBT-UHFFFAOYSA-N
XLogP2.08
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one (CID 54192964) is 3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one is O=C1OC(CCl)CN1N=Cc1ccccc1.
What is the InChIKey of 3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one?
The InChIKey is PJUGABRSWMTWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-6-10-8-14(11(15)16-10)13-7-9-4-2-1-3-5-9/h1-5,7,10H,6,8H2.
What are the key properties of 3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one?
3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one has a molecular weight of 238.67 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylideneamino)-5-(chloromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 54192964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).