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

C25H20N2O5 — CID 24801045

IUPAC6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc(C(=O)CCc3ccc(COc4ccccc4)cc3)o2)nc1
InChIInChI=1S/C25H20N2O5/c28-22(24-27-15-23(32-24)21-12-11-19(14-26-21)25(29)30)13-10-17-6-8-18(9-7-17)16-31-20-4-2-1-3-5-20/h1-9,11-12,14-15H,10,13,16H2,(H,29,30)
InChIKeyQJKRAMFQMUMXJK-UHFFFAOYSA-N
MW428.44 g/mol
LogP4.83
Rot. Bonds9

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

6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid (PubChem CID 24801045) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid
PubChem CID24801045
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Name6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc(C(=O)CCc3ccc(COc4ccccc4)cc3)o2)nc1
InChIInChI=1S/C25H20N2O5/c28-22(24-27-15-23(32-24)21-12-11-19(14-26-21)25(29)30)13-10-17-6-8-18(9-7-17)16-31-20-4-2-1-3-5-20/h1-9,11-12,14-15H,10,13,16H2,(H,29,30)
InChIKeyQJKRAMFQMUMXJK-UHFFFAOYSA-N
XLogP4.83
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.83
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-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid (CID 24801045) is 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2cnc(C(=O)CCc3ccc(COc4ccccc4)cc3)o2)nc1.
What is the InChIKey of 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid?
The InChIKey is QJKRAMFQMUMXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c28-22(24-27-15-23(32-24)21-12-11-19(14-26-21)25(29)30)13-10-17-6-8-18(9-7-17)16-31-20-4-2-1-3-5-20/h1-9,11-12,14-15H,10,13,16H2,(H,29,30).
What are the key properties of 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid?
6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid has a molecular weight of 428.44 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 24801045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).