3-[2-(2-bromophenoxy)ethyl]-1,2-oxazol-5-amine

C11H11BrN2O2 — CID 82093983

IUPAC3-[2-(2-bromophenoxy)ethyl]-1,2-oxazol-5-amine
SMILESNc1cc(CCOc2ccccc2Br)no1
InChIInChI=1S/C11H11BrN2O2/c12-9-3-1-2-4-10(9)15-6-5-8-7-11(13)16-14-8/h1-4,7H,5-6,13H2
InChIKeySROQTMGNPJOKEO-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.64
Rot. Bonds4

About 3-[2-(2-bromophenoxy)ethyl]-1,2-oxazol-5-amine

3-[2-(2-bromophenoxy)ethyl]-1,2-oxazol-5-amine (PubChem CID 82093983) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-[2-(2-bromophenoxy)ethyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-(2-bromophenoxy)ethyl]-1,2-oxazol-5-amine
PubChem CID82093983
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name3-[2-(2-bromophenoxy)ethyl]-1,2-oxazol-5-amine
SMILESNc1cc(CCOc2ccccc2Br)no1
InChIInChI=1S/C11H11BrN2O2/c12-9-3-1-2-4-10(9)15-6-5-8-7-11(13)16-14-8/h1-4,7H,5-6,13H2
InChIKeySROQTMGNPJOKEO-UHFFFAOYSA-N
XLogP2.64
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromophenoxy)ethyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-(2-bromophenoxy)ethyl]-1,2-oxazol-5-amine (CID 82093983) is 3-[2-(2-bromophenoxy)ethyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-(2-bromophenoxy)ethyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-(2-bromophenoxy)ethyl]-1,2-oxazol-5-amine is Nc1cc(CCOc2ccccc2Br)no1.
What is the InChIKey of 3-[2-(2-bromophenoxy)ethyl]-1,2-oxazol-5-amine?
The InChIKey is SROQTMGNPJOKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-9-3-1-2-4-10(9)15-6-5-8-7-11(13)16-14-8/h1-4,7H,5-6,13H2.
What are the key properties of 3-[2-(2-bromophenoxy)ethyl]-1,2-oxazol-5-amine?
3-[2-(2-bromophenoxy)ethyl]-1,2-oxazol-5-amine has a molecular weight of 283.12 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromophenoxy)ethyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 82093983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).