3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid

C23H24N2O4 — CID 91399527

IUPAC3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid
SMILESCC1=C(CCOc2cccc3c2ccn3CCC(=O)O)NC(c2ccccc2)O1
InChIInChI=1S/C23H24N2O4/c1-16-19(24-23(29-16)17-6-3-2-4-7-17)12-15-28-21-9-5-8-20-18(21)10-13-25(20)14-11-22(26)27/h2-10,13,23-24H,11-12,14-15H2,1H3,(H,26,27)
InChIKeyAZBMNHYKUPJXDL-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.43
Rot. Bonds8

About 3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid

3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid (PubChem CID 91399527) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid
PubChem CID91399527
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid
SMILESCC1=C(CCOc2cccc3c2ccn3CCC(=O)O)NC(c2ccccc2)O1
InChIInChI=1S/C23H24N2O4/c1-16-19(24-23(29-16)17-6-3-2-4-7-17)12-15-28-21-9-5-8-20-18(21)10-13-25(20)14-11-22(26)27/h2-10,13,23-24H,11-12,14-15H2,1H3,(H,26,27)
InChIKeyAZBMNHYKUPJXDL-UHFFFAOYSA-N
XLogP4.43
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid (CID 91399527) is 3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid is CC1=C(CCOc2cccc3c2ccn3CCC(=O)O)NC(c2ccccc2)O1.
What is the InChIKey of 3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid?
The InChIKey is AZBMNHYKUPJXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-16-19(24-23(29-16)17-6-3-2-4-7-17)12-15-28-21-9-5-8-20-18(21)10-13-25(20)14-11-22(26)27/h2-10,13,23-24H,11-12,14-15H2,1H3,(H,26,27).
What are the key properties of 3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid?
3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid has a molecular weight of 392.46 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(5-methyl-2-phenyl-2,3-dihydro-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid is sourced from PubChem (CID 91399527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).