5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one

C11H11ClN2O4 — CID 11837264

IUPAC5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CCl)CN1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H11ClN2O4/c12-5-10-7-13(11(15)18-10)6-8-1-3-9(4-2-8)14(16)17/h1-4,10H,5-7H2
InChIKeyRKIAWPKYDCGFPY-UHFFFAOYSA-N
MW270.67 g/mol
LogP2.15
Rot. Bonds4

About 5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one

5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 11837264) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is 5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID11837264
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CCl)CN1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H11ClN2O4/c12-5-10-7-13(11(15)18-10)6-8-1-3-9(4-2-8)14(16)17/h1-4,10H,5-7H2
InChIKeyRKIAWPKYDCGFPY-UHFFFAOYSA-N
XLogP2.15
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one (CID 11837264) is 5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one is O=C1OC(CCl)CN1Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is RKIAWPKYDCGFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c12-5-10-7-13(11(15)18-10)6-8-1-3-9(4-2-8)14(16)17/h1-4,10H,5-7H2.
What are the key properties of 5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 270.67 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11837264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).