3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine

C11H7ClN2O2 — CID 117341328

IUPAC3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2c(Cl)ccc3occc23)no1
InChIInChI=1S/C11H7ClN2O2/c12-7-1-2-9-6(3-4-15-9)11(7)8-5-10(13)16-14-8/h1-5H,13H2
InChIKeyFKBOPHXZQDKITE-UHFFFAOYSA-N
MW234.64 g/mol
LogP3.32
Rot. Bonds1

About 3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine

3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine (PubChem CID 117341328) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine
PubChem CID117341328
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2c(Cl)ccc3occc23)no1
InChIInChI=1S/C11H7ClN2O2/c12-7-1-2-9-6(3-4-15-9)11(7)8-5-10(13)16-14-8/h1-5H,13H2
InChIKeyFKBOPHXZQDKITE-UHFFFAOYSA-N
XLogP3.32
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine (CID 117341328) is 3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine is Nc1cc(-c2c(Cl)ccc3occc23)no1.
What is the InChIKey of 3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine?
The InChIKey is FKBOPHXZQDKITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2/c12-7-1-2-9-6(3-4-15-9)11(7)8-5-10(13)16-14-8/h1-5H,13H2.
What are the key properties of 3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine?
3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine has a molecular weight of 234.64 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-benzofuran-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117341328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).