5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide

C13H11N3O3 — CID 81170503

IUPAC5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)NCc3ccon3)cc2c1
InChIInChI=1S/C13H11N3O3/c14-9-1-2-11-8(5-9)6-12(19-11)13(17)15-7-10-3-4-18-16-10/h1-6H,7,14H2,(H,15,17)
InChIKeyZLJWRYSNIJYIIH-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.93
Rot. Bonds3

About 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide

5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 81170503) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID81170503
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)NCc3ccon3)cc2c1
InChIInChI=1S/C13H11N3O3/c14-9-1-2-11-8(5-9)6-12(19-11)13(17)15-7-10-3-4-18-16-10/h1-6H,7,14H2,(H,15,17)
InChIKeyZLJWRYSNIJYIIH-UHFFFAOYSA-N
XLogP1.93
TPSA94.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide (CID 81170503) is 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide is Nc1ccc2oc(C(=O)NCc3ccon3)cc2c1.
What is the InChIKey of 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZLJWRYSNIJYIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c14-9-1-2-11-8(5-9)6-12(19-11)13(17)15-7-10-3-4-18-16-10/h1-6H,7,14H2,(H,15,17).
What are the key properties of 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide?
5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 81170503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).