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

C24H18N2O5 — CID 24799998

IUPAC6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(Oc4ccccc4)cc3)o2)n1
InChIInChI=1S/C24H18N2O5/c27-21(23-25-15-22(31-23)19-7-4-8-20(26-19)24(28)29)14-11-16-9-12-18(13-10-16)30-17-5-2-1-3-6-17/h1-10,12-13,15H,11,14H2,(H,28,29)
InChIKeyOBWHVJOVCOXSAT-UHFFFAOYSA-N
MW414.42 g/mol
LogP5.04
Rot. Bonds8

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

6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid (PubChem CID 24799998) 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-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
PubChem CID24799998
Molecular FormulaC24H18N2O5
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC Name6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(Oc4ccccc4)cc3)o2)n1
InChIInChI=1S/C24H18N2O5/c27-21(23-25-15-22(31-23)19-7-4-8-20(26-19)24(28)29)14-11-16-9-12-18(13-10-16)30-17-5-2-1-3-6-17/h1-10,12-13,15H,11,14H2,(H,28,29)
InChIKeyOBWHVJOVCOXSAT-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-2-carboxylic acid?
The IUPAC name of 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid (CID 24799998) is 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(Oc4ccccc4)cc3)o2)n1.
What is the InChIKey of 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The InChIKey is OBWHVJOVCOXSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O5/c27-21(23-25-15-22(31-23)19-7-4-8-20(26-19)24(28)29)14-11-16-9-12-18(13-10-16)30-17-5-2-1-3-6-17/h1-10,12-13,15H,11,14H2,(H,28,29).
What are the key properties of 6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
6-[2-[3-(4-phenoxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-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-2-carboxylic acid is sourced from PubChem (CID 24799998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).