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

C32H21N3O4 — CID 140746647

IUPAC4-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc(-c3ccc(-c4nnc(-c5ccc(-c6ccccc6)cc5)o4)cc3)cc2)ccn1
InChIInChI=1S/C32H21N3O4/c36-32(37)29-20-28(18-19-33-29)38-27-16-14-24(15-17-27)23-8-12-26(13-9-23)31-35-34-30(39-31)25-10-6-22(7-11-25)21-4-2-1-3-5-21/h1-20H,(H,36,37)
InChIKeyCRCJFJIMUQXTSN-UHFFFAOYSA-N
MW511.54 g/mol
LogP7.62
Rot. Bonds7

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

4-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]pyridine-2-carboxylic acid (PubChem CID 140746647) has the molecular formula C32H21N3O4 and a molecular weight of 511.54 g/mol. Its IUPAC name is 4-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]pyridine-2-carboxylic acid
PubChem CID140746647
Molecular FormulaC32H21N3O4
Molecular Weight511.54 g/mol
Exact Mass511.15
IUPAC Name4-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ccc(-c3ccc(-c4nnc(-c5ccc(-c6ccccc6)cc5)o4)cc3)cc2)ccn1
InChIInChI=1S/C32H21N3O4/c36-32(37)29-20-28(18-19-33-29)38-27-16-14-24(15-17-27)23-8-12-26(13-9-23)31-35-34-30(39-31)25-10-6-22(7-11-25)21-4-2-1-3-5-21/h1-20H,(H,36,37)
InChIKeyCRCJFJIMUQXTSN-UHFFFAOYSA-N
XLogP7.62
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.54
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-(4-hydroxyphenoxy)pyridine-2-carboxylic acid
CID 69017649
4-(4-cyanophenoxy)pyridine-2-carboxylic acid
CID 43142929
[4-(4-phenylphenoxy)-2-pyridinyl]methanol
CID 61255006
4-(2,3-dihydro-1H-inden-5-yloxy)pyridine-2-carboxylic acid
CID 43326034
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]benzamide
CID 67153787
4-(2-acetamidophenoxy)pyridine-2-carboxylic acid
CID 43142934
5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid
CID 106502994
4-(3-ethylphenoxy)pyridine-2-carboxylic acid
CID 43326028
4-(2-ethoxyphenoxy)pyridine-2-carboxylic acid
CID 43142917
4-(4-imidazol-1-ylphenoxy)pyridine-2-carboxylic acid
CID 67405266
2-(4-methylphenyl)-5-[4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenoxy]phenyl]-1,3,4-oxadiazole
CID 20603457
4-(4-phenylphenoxy)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-2-carboxamide
CID 53465165

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]pyridine-2-carboxylic acid (CID 140746647) is 4-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]pyridine-2-carboxylic acid is O=C(O)c1cc(Oc2ccc(-c3ccc(-c4nnc(-c5ccc(-c6ccccc6)cc5)o4)cc3)cc2)ccn1.
What is the InChIKey of 4-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]pyridine-2-carboxylic acid?
The InChIKey is CRCJFJIMUQXTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3O4/c36-32(37)29-20-28(18-19-33-29)38-27-16-14-24(15-17-27)23-8-12-26(13-9-23)31-35-34-30(39-31)25-10-6-22(7-11-25)21-4-2-1-3-5-21/h1-20H,(H,36,37).
What are the key properties of 4-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]pyridine-2-carboxylic acid?
4-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]pyridine-2-carboxylic acid has a molecular weight of 511.54 g/mol, XLogP of 7.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 140746647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).