(7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone

C15H14N4O3 — CID 91625220

IUPAC(7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESCOc1cccc2cc(C(=O)N3CC(n4ccnn4)C3)oc12
InChIInChI=1S/C15H14N4O3/c1-21-12-4-2-3-10-7-13(22-14(10)12)15(20)18-8-11(9-18)19-6-5-16-17-19/h2-7,11H,8-9H2,1H3
InChIKeyJOJYIBAHCSKPTA-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.73
Rot. Bonds3

About (7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone

(7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone (PubChem CID 91625220) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is (7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
PubChem CID91625220
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name(7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESCOc1cccc2cc(C(=O)N3CC(n4ccnn4)C3)oc12
InChIInChI=1S/C15H14N4O3/c1-21-12-4-2-3-10-7-13(22-14(10)12)15(20)18-8-11(9-18)19-6-5-16-17-19/h2-7,11H,8-9H2,1H3
InChIKeyJOJYIBAHCSKPTA-UHFFFAOYSA-N
XLogP1.73
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone (CID 91625220) is (7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone is COc1cccc2cc(C(=O)N3CC(n4ccnn4)C3)oc12.
What is the InChIKey of (7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is JOJYIBAHCSKPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-21-12-4-2-3-10-7-13(22-14(10)12)15(20)18-8-11(9-18)19-6-5-16-17-19/h2-7,11H,8-9H2,1H3.
What are the key properties of (7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
(7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 298.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-benzofuran-2-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 91625220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).