4-(bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one

C10H13BrN2O2 — CID 168505023

IUPAC4-(bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1CCc1cnco1
InChIInChI=1S/C10H13BrN2O2/c11-4-8-3-10(14)13(6-8)2-1-9-5-12-7-15-9/h5,7-8H,1-4,6H2
InChIKeyMVGFMJCNSAMLMD-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.46
Rot. Bonds4

About 4-(bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one

4-(bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one (PubChem CID 168505023) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 4-(bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
PubChem CID168505023
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name4-(bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CC(CBr)CN1CCc1cnco1
InChIInChI=1S/C10H13BrN2O2/c11-4-8-3-10(14)13(6-8)2-1-9-5-12-7-15-9/h5,7-8H,1-4,6H2
InChIKeyMVGFMJCNSAMLMD-UHFFFAOYSA-N
XLogP1.46
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one (CID 168505023) is 4-(bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one is O=C1CC(CBr)CN1CCc1cnco1.
What is the InChIKey of 4-(bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one?
The InChIKey is MVGFMJCNSAMLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c11-4-8-3-10(14)13(6-8)2-1-9-5-12-7-15-9/h5,7-8H,1-4,6H2.
What are the key properties of 4-(bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one?
4-(bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one has a molecular weight of 273.13 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168505023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).