1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine

C11H13BrN2O2 — CID 65181498

IUPAC1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ncc(-c2ccc(Br)o2)o1
InChIInChI=1S/C11H13BrN2O2/c1-3-13-7(2)11-14-6-9(16-11)8-4-5-10(12)15-8/h4-7,13H,3H2,1-2H3
InChIKeyLEKQVYNVASLQFG-UHFFFAOYSA-N
MW285.14 g/mol
LogP3.37
Rot. Bonds4

About 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine

1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine (PubChem CID 65181498) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
PubChem CID65181498
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ncc(-c2ccc(Br)o2)o1
InChIInChI=1S/C11H13BrN2O2/c1-3-13-7(2)11-14-6-9(16-11)8-4-5-10(12)15-8/h4-7,13H,3H2,1-2H3
InChIKeyLEKQVYNVASLQFG-UHFFFAOYSA-N
XLogP3.37
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine (CID 65181498) is 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine is CCNC(C)c1ncc(-c2ccc(Br)o2)o1.
What is the InChIKey of 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine?
The InChIKey is LEKQVYNVASLQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-3-13-7(2)11-14-6-9(16-11)8-4-5-10(12)15-8/h4-7,13H,3H2,1-2H3.
What are the key properties of 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine?
1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine has a molecular weight of 285.14 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]-N-ethylethanamine is sourced from PubChem (CID 65181498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).