2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole

C22H16N2O4 — CID 118905509

IUPAC2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole
SMILESCOc1ccc(COc2ccc3oc(-c4cc5ccccc5o4)nc3c2)nc1
InChIInChI=1S/C22H16N2O4/c1-25-17-7-6-15(23-12-17)13-26-16-8-9-20-18(11-16)24-22(28-20)21-10-14-4-2-3-5-19(14)27-21/h2-12H,13H2,1H3
InChIKeyDIFQBWLTWFKERI-UHFFFAOYSA-N
MW372.38 g/mol
LogP5.22
Rot. Bonds5

About 2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole

2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole (PubChem CID 118905509) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole
PubChem CID118905509
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole
SMILESCOc1ccc(COc2ccc3oc(-c4cc5ccccc5o4)nc3c2)nc1
InChIInChI=1S/C22H16N2O4/c1-25-17-7-6-15(23-12-17)13-26-16-8-9-20-18(11-16)24-22(28-20)21-10-14-4-2-3-5-19(14)27-21/h2-12H,13H2,1H3
InChIKeyDIFQBWLTWFKERI-UHFFFAOYSA-N
XLogP5.22
TPSA70.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.38
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole?
The IUPAC name of 2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole (CID 118905509) is 2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole?
The canonical SMILES for 2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole is COc1ccc(COc2ccc3oc(-c4cc5ccccc5o4)nc3c2)nc1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole?
The InChIKey is DIFQBWLTWFKERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-25-17-7-6-15(23-12-17)13-26-16-8-9-20-18(11-16)24-22(28-20)21-10-14-4-2-3-5-19(14)27-21/h2-12H,13H2,1H3.
What are the key properties of 2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole?
2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole has a molecular weight of 372.38 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole is sourced from PubChem (CID 118905509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).