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

C23H19N3O3 — CID 24949380

IUPAC6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2nnc(CCCc3ccc(-c4ccccc4)cc3)o2)n1
InChIInChI=1S/C23H19N3O3/c27-23(28)20-10-5-9-19(24-20)22-26-25-21(29-22)11-4-6-16-12-14-18(15-13-16)17-7-2-1-3-8-17/h1-3,5,7-10,12-15H,4,6,11H2,(H,27,28)
InChIKeyKBGKRFQZCVTWRR-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.67
Rot. Bonds7

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

6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid (PubChem CID 24949380) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid
PubChem CID24949380
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2nnc(CCCc3ccc(-c4ccccc4)cc3)o2)n1
InChIInChI=1S/C23H19N3O3/c27-23(28)20-10-5-9-19(24-20)22-26-25-21(29-22)11-4-6-16-12-14-18(15-13-16)17-7-2-1-3-8-17/h1-3,5,7-10,12-15H,4,6,11H2,(H,27,28)
InChIKeyKBGKRFQZCVTWRR-UHFFFAOYSA-N
XLogP4.67
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[5-[2-hydroxy-3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid
CID 44577867
2-[3-(4-chlorophenyl)propyl]-5-phenyl-1,3,4-oxadiazole
CID 67612049
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
2-(7-phenylheptyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 44577785
4-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 60912310
2-[2-[(4-phenylphenyl)methyl]prop-2-enyl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 58366285
5-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pentanoic acid
CID 54929886
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 56706628
4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110615805
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581
3-(5-pentyl-1,3,4-oxadiazol-2-yl)benzoic acid
CID 63382298
2-[5-(4-phenylphenyl)pentanoyl]-1,3-thiazole-4-carboxylic acid
CID 51041859

Frequently Asked Questions

What is the IUPAC name of 6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid (CID 24949380) is 6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2nnc(CCCc3ccc(-c4ccccc4)cc3)o2)n1.
What is the InChIKey of 6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid?
The InChIKey is KBGKRFQZCVTWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-23(28)20-10-5-9-19(24-20)22-26-25-21(29-22)11-4-6-16-12-14-18(15-13-16)17-7-2-1-3-8-17/h1-3,5,7-10,12-15H,4,6,11H2,(H,27,28).
What are the key properties of 6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid?
6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 24949380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).