1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol

C17H18N2O3 — CID 167350782

IUPAC1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol
SMILESCc1nc(-c2coc3ccccc23)cnc1OCC(C)(C)O
InChIInChI=1S/C17H18N2O3/c1-11-16(22-10-17(2,3)20)18-8-14(19-11)13-9-21-15-7-5-4-6-12(13)15/h4-9,20H,10H2,1-3H3
InChIKeyHTARNUNTUCJPEF-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.35
Rot. Bonds4

About 1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol

1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol (PubChem CID 167350782) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol
PubChem CID167350782
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol
SMILESCc1nc(-c2coc3ccccc23)cnc1OCC(C)(C)O
InChIInChI=1S/C17H18N2O3/c1-11-16(22-10-17(2,3)20)18-8-14(19-11)13-9-21-15-7-5-4-6-12(13)15/h4-9,20H,10H2,1-3H3
InChIKeyHTARNUNTUCJPEF-UHFFFAOYSA-N
XLogP3.35
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol?
The IUPAC name of 1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol (CID 167350782) is 1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol is Cc1nc(-c2coc3ccccc23)cnc1OCC(C)(C)O.
What is the InChIKey of 1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol?
The InChIKey is HTARNUNTUCJPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-16(22-10-17(2,3)20)18-8-14(19-11)13-9-21-15-7-5-4-6-12(13)15/h4-9,20H,10H2,1-3H3.
What are the key properties of 1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol?
1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol has a molecular weight of 298.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-benzofuran-3-yl)-3-methylpyrazin-2-yl]oxy-2-methylpropan-2-ol is sourced from PubChem (CID 167350782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).