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

C23H19N3O4 — CID 44577867

IUPAC6-[5-[2-hydroxy-3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2nnc(CC(O)Cc3ccc(-c4ccccc4)cc3)o2)n1
InChIInChI=1S/C23H19N3O4/c27-18(13-15-9-11-17(12-10-15)16-5-2-1-3-6-16)14-21-25-26-22(30-21)19-7-4-8-20(24-19)23(28)29/h1-12,18,27H,13-14H2,(H,28,29)
InChIKeyZRRANVOFLZLGRM-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.64
Rot. Bonds7

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

6-[5-[2-hydroxy-3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid (PubChem CID 44577867) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 6-[5-[2-hydroxy-3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[5-[2-hydroxy-3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid
PubChem CID44577867
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name6-[5-[2-hydroxy-3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(-c2nnc(CC(O)Cc3ccc(-c4ccccc4)cc3)o2)n1
InChIInChI=1S/C23H19N3O4/c27-18(13-15-9-11-17(12-10-15)16-5-2-1-3-6-16)14-21-25-26-22(30-21)19-7-4-8-20(24-19)23(28)29/h1-12,18,27H,13-14H2,(H,28,29)
InChIKeyZRRANVOFLZLGRM-UHFFFAOYSA-N
XLogP3.64
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-hydroxy-3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[5-[2-hydroxy-3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid (CID 44577867) is 6-[5-[2-hydroxy-3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[5-[2-hydroxy-3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[5-[2-hydroxy-3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(-c2nnc(CC(O)Cc3ccc(-c4ccccc4)cc3)o2)n1.
What is the InChIKey of 6-[5-[2-hydroxy-3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid?
The InChIKey is ZRRANVOFLZLGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c27-18(13-15-9-11-17(12-10-15)16-5-2-1-3-6-16)14-21-25-26-22(30-21)19-7-4-8-20(24-19)23(28)29/h1-12,18,27H,13-14H2,(H,28,29).
What are the key properties of 6-[5-[2-hydroxy-3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid?
6-[5-[2-hydroxy-3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid has a molecular weight of 401.42 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-hydroxy-3-(4-phenylphenyl)propyl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 44577867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).