4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one

C11H11BrN2O2 — CID 4715308

IUPAC4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one
SMILESNCCc1c(-c2cccc(Br)c2)[nH]oc1=O
InChIInChI=1S/C11H11BrN2O2/c12-8-3-1-2-7(6-8)10-9(4-5-13)11(15)16-14-10/h1-3,6,14H,4-5,13H2
InChIKeyGEMKOIRALRRPSR-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.90
Rot. Bonds3

About 4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one

4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one (PubChem CID 4715308) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one
PubChem CID4715308
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one
SMILESNCCc1c(-c2cccc(Br)c2)[nH]oc1=O
InChIInChI=1S/C11H11BrN2O2/c12-8-3-1-2-7(6-8)10-9(4-5-13)11(15)16-14-10/h1-3,6,14H,4-5,13H2
InChIKeyGEMKOIRALRRPSR-UHFFFAOYSA-N
XLogP1.90
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one (CID 4715308) is 4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one is NCCc1c(-c2cccc(Br)c2)[nH]oc1=O.
What is the InChIKey of 4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one?
The InChIKey is GEMKOIRALRRPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-8-3-1-2-7(6-8)10-9(4-5-13)11(15)16-14-10/h1-3,6,14H,4-5,13H2.
What are the key properties of 4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one?
4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one has a molecular weight of 283.12 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3-(3-bromophenyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 4715308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).