2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone

C14H12N2O3 — CID 115797247

IUPAC2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H12N2O3/c1-18-14-12(15-5-6-16-14)13(17)10-2-3-11-9(8-10)4-7-19-11/h2-3,5-6,8H,4,7H2,1H3
InChIKeyMNTYXHIPAYYIAM-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.65
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone

2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone (PubChem CID 115797247) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone
PubChem CID115797247
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H12N2O3/c1-18-14-12(15-5-6-16-14)13(17)10-2-3-11-9(8-10)4-7-19-11/h2-3,5-6,8H,4,7H2,1H3
InChIKeyMNTYXHIPAYYIAM-UHFFFAOYSA-N
XLogP1.65
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-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 2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone (CID 115797247) is 2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone is COc1nccnc1C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is MNTYXHIPAYYIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-18-14-12(15-5-6-16-14)13(17)10-2-3-11-9(8-10)4-7-19-11/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone?
2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone has a molecular weight of 256.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 115797247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).