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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Related Compounds

[1-[2-(1,3-Oxazol-5-yl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676532
4-amino-N-[2-(1,3-oxazol-5-yl)ethyl]butanamide
CID 123309151
N-ethyl-N-methyl-2-(1,3-oxazol-5-yl)propan-1-amine
CID 144384304
ethane;N-ethyl-N-methyl-2-(1,3-oxazol-5-yl)propan-1-amine
CID 144385617
3-Bromo-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one
CID 106376503
2-Bromo-5-(1-methylpyrrolidin-3-yl)-1,3-oxazole
CID 117259539
2-Bromo-5-(1-ethylpyrrolidin-3-yl)-1,3-oxazole
CID 117259542
5-(1-Bromopropan-2-yl)-1,3-oxazole
CID 165794059
1-[2-(1,3-Oxazol-5-yl)ethyl]pyrrolidine-2,4-dione
CID 168494078
4-Bromo-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
CID 168497235
4-Bromo-1-(1,3-oxazol-5-ylmethyl)pyrrolidin-2-one
CID 168497390
4-Ethynyl-1-[2-(1,3-oxazol-5-yl)ethyl]pyrrolidin-2-one
CID 168501702

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).