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

C24H20N2O3 — CID 24799299

IUPAC6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc(CCCc3ccc(-c4ccccc4)cc3)o2)n1
InChIInChI=1S/C24H20N2O3/c27-24(28)21-10-5-9-20(26-21)22-16-25-23(29-22)11-4-6-17-12-14-19(15-13-17)18-7-2-1-3-8-18/h1-3,5,7-10,12-16H,4,6,11H2,(H,27,28)
InChIKeyFZVZQVHXUOGRPO-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.28
Rot. Bonds7

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

6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid (PubChem CID 24799299) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
PubChem CID24799299
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2cnc(CCCc3ccc(-c4ccccc4)cc3)o2)n1
InChIInChI=1S/C24H20N2O3/c27-24(28)21-10-5-9-20(26-21)22-16-25-23(29-22)11-4-6-17-12-14-19(15-13-17)18-7-2-1-3-8-18/h1-3,5,7-10,12-16H,4,6,11H2,(H,27,28)
InChIKeyFZVZQVHXUOGRPO-UHFFFAOYSA-N
XLogP5.28
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid (CID 24799299) is 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2cnc(CCCc3ccc(-c4ccccc4)cc3)o2)n1.
What is the InChIKey of 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
The InChIKey is FZVZQVHXUOGRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c27-24(28)21-10-5-9-20(26-21)22-16-25-23(29-22)11-4-6-17-12-14-19(15-13-17)18-7-2-1-3-8-18/h1-3,5,7-10,12-16H,4,6,11H2,(H,27,28).
What are the key properties of 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid?
6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(4-phenylphenyl)propyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 24799299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).