6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid

C24H18N2O5 — CID 24800865

IUPAC6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc(C(=O)CCc3ccc(Oc4ccccc4)cc3)o2)nc1
InChIInChI=1S/C24H18N2O5/c27-21(23-26-15-22(31-23)20-12-9-17(14-25-20)24(28)29)13-8-16-6-10-19(11-7-16)30-18-4-2-1-3-5-18/h1-7,9-12,14-15H,8,13H2,(H,28,29)
InChIKeyVALWJNCGKALXHT-UHFFFAOYSA-N
MW414.42 g/mol
LogP5.04
Rot. Bonds8

About 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid

6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid (PubChem CID 24800865) has the molecular formula C24H18N2O5 and a molecular weight of 414.42 g/mol. Its IUPAC name is 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid
PubChem CID24800865
Molecular FormulaC24H18N2O5
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC Name6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc(C(=O)CCc3ccc(Oc4ccccc4)cc3)o2)nc1
InChIInChI=1S/C24H18N2O5/c27-21(23-26-15-22(31-23)20-12-9-17(14-25-20)24(28)29)13-8-16-6-10-19(11-7-16)30-18-4-2-1-3-5-18/h1-7,9-12,14-15H,8,13H2,(H,28,29)
InChIKeyVALWJNCGKALXHT-UHFFFAOYSA-N
XLogP5.04
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.42
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid (CID 24800865) is 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2cnc(C(=O)CCc3ccc(Oc4ccccc4)cc3)o2)nc1.
What is the InChIKey of 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid?
The InChIKey is VALWJNCGKALXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O5/c27-21(23-26-15-22(31-23)20-12-9-17(14-25-20)24(28)29)13-8-16-6-10-19(11-7-16)30-18-4-2-1-3-5-18/h1-7,9-12,14-15H,8,13H2,(H,28,29).
What are the key properties of 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid?
6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid has a molecular weight of 414.42 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 24800865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).