2-[6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C19H16N2O5 — CID 127033226

IUPAC2-[6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESO=C(O)CC1COc2cc(OCc3nnc(-c4ccccc4)o3)ccc21
InChIInChI=1S/C19H16N2O5/c22-18(23)8-13-10-25-16-9-14(6-7-15(13)16)24-11-17-20-21-19(26-17)12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,22,23)
InChIKeyNSKNYZRPMLHCIY-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.27
Rot. Bonds6

About 2-[6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

2-[6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 127033226) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID127033226
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name2-[6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESO=C(O)CC1COc2cc(OCc3nnc(-c4ccccc4)o3)ccc21
InChIInChI=1S/C19H16N2O5/c22-18(23)8-13-10-25-16-9-14(6-7-15(13)16)24-11-17-20-21-19(26-17)12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,22,23)
InChIKeyNSKNYZRPMLHCIY-UHFFFAOYSA-N
XLogP3.27
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 127033226) is 2-[6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is O=C(O)CC1COc2cc(OCc3nnc(-c4ccccc4)o3)ccc21.
What is the InChIKey of 2-[6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is NSKNYZRPMLHCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c22-18(23)8-13-10-25-16-9-14(6-7-15(13)16)24-11-17-20-21-19(26-17)12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,22,23).
What are the key properties of 2-[6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 352.35 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 127033226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).