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

C9H9BrN2O2 — CID 65178578

IUPAC1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(-c2ccc(Br)o2)o1
InChIInChI=1S/C9H9BrN2O2/c1-5(11)9-12-4-7(14-9)6-2-3-8(10)13-6/h2-5H,11H2,1H3
InChIKeyOUZPKXSREHDEMN-UHFFFAOYSA-N
MW257.09 g/mol
LogP2.72
Rot. Bonds2

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

1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65178578) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65178578
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC Name1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(-c2ccc(Br)o2)o1
InChIInChI=1S/C9H9BrN2O2/c1-5(11)9-12-4-7(14-9)6-2-3-8(10)13-6/h2-5H,11H2,1H3
InChIKeyOUZPKXSREHDEMN-UHFFFAOYSA-N
XLogP2.72
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 52.72
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]ethanamine?
The IUPAC name of 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]ethanamine (CID 65178578) is 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]ethanamine is CC(N)c1ncc(-c2ccc(Br)o2)o1.
What is the InChIKey of 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is OUZPKXSREHDEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c1-5(11)9-12-4-7(14-9)6-2-3-8(10)13-6/h2-5H,11H2,1H3.
What are the key properties of 1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]ethanamine?
1-[5-(5-bromofuran-2-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 257.09 g/mol, XLogP of 2.72, 2 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]ethanamine is sourced from PubChem (CID 65178578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).