2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C22H21NO5 — CID 23111663

IUPAC2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OCC2CC(=O)O
InChIInChI=1S/C22H21NO5/c1-14-19(23-22(28-14)15-5-3-2-4-6-15)9-10-26-17-7-8-18-16(11-21(24)25)13-27-20(18)12-17/h2-8,12,16H,9-11,13H2,1H3,(H,24,25)
InChIKeyLNIBCKWAMCKSNE-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.22
Rot. Bonds7

About 2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 23111663) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
PubChem CID23111663
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OCC2CC(=O)O
InChIInChI=1S/C22H21NO5/c1-14-19(23-22(28-14)15-5-3-2-4-6-15)9-10-26-17-7-8-18-16(11-21(24)25)13-27-20(18)12-17/h2-8,12,16H,9-11,13H2,1H3,(H,24,25)
InChIKeyLNIBCKWAMCKSNE-UHFFFAOYSA-N
XLogP4.22
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The IUPAC name of 2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 23111663) is 2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.
What is the SMILES notation for 2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The canonical SMILES for 2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OCC2CC(=O)O.
What is the InChIKey of 2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
The InChIKey is LNIBCKWAMCKSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-14-19(23-22(28-14)15-5-3-2-4-6-15)9-10-26-17-7-8-18-16(11-21(24)25)13-27-20(18)12-17/h2-8,12,16H,9-11,13H2,1H3,(H,24,25).
What are the key properties of 2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?
2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 379.41 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 23111663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).