3-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid

C19H16ClNO4 — CID 122184685

IUPAC3-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2coc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C19H16ClNO4/c20-15-3-1-2-14(10-15)19-21-16(12-25-19)11-24-17-7-4-13(5-8-17)6-9-18(22)23/h1-5,7-8,10,12H,6,9,11H2,(H,22,23)
InChIKeyBHVFPYLGDVRHLH-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.59
Rot. Bonds7

About 3-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid

3-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid (PubChem CID 122184685) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 3-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid
PubChem CID122184685
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name3-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCc2coc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C19H16ClNO4/c20-15-3-1-2-14(10-15)19-21-16(12-25-19)11-24-17-7-4-13(5-8-17)6-9-18(22)23/h1-5,7-8,10,12H,6,9,11H2,(H,22,23)
InChIKeyBHVFPYLGDVRHLH-UHFFFAOYSA-N
XLogP4.59
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid (CID 122184685) is 3-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid is O=C(O)CCc1ccc(OCc2coc(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 3-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid?
The InChIKey is BHVFPYLGDVRHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c20-15-3-1-2-14(10-15)19-21-16(12-25-19)11-24-17-7-4-13(5-8-17)6-9-18(22)23/h1-5,7-8,10,12H,6,9,11H2,(H,22,23).
What are the key properties of 3-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid?
3-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid has a molecular weight of 357.79 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 122184685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).