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

C20H17NO5 — CID 127033237

IUPAC2-[6-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESO=C(O)CC1COc2cc(OCc3cc(-c4ccccc4)on3)ccc21
InChIInChI=1S/C20H17NO5/c22-20(23)8-14-11-25-19-10-16(6-7-17(14)19)24-12-15-9-18(26-21-15)13-4-2-1-3-5-13/h1-7,9-10,14H,8,11-12H2,(H,22,23)
InChIKeyGKSNXXYIIXOQGL-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.87
Rot. Bonds6

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

2-[6-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 127033237) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[6-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID127033237
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name2-[6-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESO=C(O)CC1COc2cc(OCc3cc(-c4ccccc4)on3)ccc21
InChIInChI=1S/C20H17NO5/c22-20(23)8-14-11-25-19-10-16(6-7-17(14)19)24-12-15-9-18(26-21-15)13-4-2-1-3-5-13/h1-7,9-10,14H,8,11-12H2,(H,22,23)
InChIKeyGKSNXXYIIXOQGL-UHFFFAOYSA-N
XLogP3.87
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[6-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 127033237) is 2-[6-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[6-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[6-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is O=C(O)CC1COc2cc(OCc3cc(-c4ccccc4)on3)ccc21.
What is the InChIKey of 2-[6-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is GKSNXXYIIXOQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c22-20(23)8-14-11-25-19-10-16(6-7-17(14)19)24-12-15-9-18(26-21-15)13-4-2-1-3-5-13/h1-7,9-10,14H,8,11-12H2,(H,22,23).
What are the key properties of 2-[6-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[6-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 351.36 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(5-phenyl-1,2-oxazol-3-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 127033237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).