5-[3-(3-imidazo[1,5-a]pyridin-1-ylphenoxy)phenyl]-1,2,4-oxadiazole

C21H14N4O2 — CID 140928850

IUPAC5-[3-(3-imidazo[1,5-a]pyridin-1-ylphenoxy)phenyl]-1,2,4-oxadiazole
SMILESc1cc(Oc2cccc(-c3ncn4ccccc34)c2)cc(-c2ncno2)c1
InChIInChI=1S/C21H14N4O2/c1-2-10-25-14-23-20(19(25)9-1)15-5-3-7-17(11-15)26-18-8-4-6-16(12-18)21-22-13-24-27-21/h1-14H
InChIKeyOKSDVLLPXGYDDD-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.84
Rot. Bonds4

About 5-[3-(3-imidazo[1,5-a]pyridin-1-ylphenoxy)phenyl]-1,2,4-oxadiazole

5-[3-(3-imidazo[1,5-a]pyridin-1-ylphenoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 140928850) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 5-[3-(3-imidazo[1,5-a]pyridin-1-ylphenoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(3-imidazo[1,5-a]pyridin-1-ylphenoxy)phenyl]-1,2,4-oxadiazole
PubChem CID140928850
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC Name5-[3-(3-imidazo[1,5-a]pyridin-1-ylphenoxy)phenyl]-1,2,4-oxadiazole
SMILESc1cc(Oc2cccc(-c3ncn4ccccc34)c2)cc(-c2ncno2)c1
InChIInChI=1S/C21H14N4O2/c1-2-10-25-14-23-20(19(25)9-1)15-5-3-7-17(11-15)26-18-8-4-6-16(12-18)21-22-13-24-27-21/h1-14H
InChIKeyOKSDVLLPXGYDDD-UHFFFAOYSA-N
XLogP4.84
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-imidazo[1,5-a]pyridin-1-ylphenyl)imidazo[1,5-a]pyridine
CID 4702100
1-(4-methoxyphenyl)imidazo[1,5-a]pyridine
CID 58880620
1-phenylimidazo[1,5-a]pyridine;platinum
CID 59171221
3-bromo-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyridine
CID 139886725
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
2-imidazo[1,5-a]pyridin-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 140730176
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 100802083
2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline
CID 66972301
5-[3-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]phenyl]oxatriazole
CID 140730884
N,N-dimethyl-1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 56720297
6-(3-phenoxyphenyl)pyrimidin-4-amine
CID 152697085

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-imidazo[1,5-a]pyridin-1-ylphenoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(3-imidazo[1,5-a]pyridin-1-ylphenoxy)phenyl]-1,2,4-oxadiazole (CID 140928850) is 5-[3-(3-imidazo[1,5-a]pyridin-1-ylphenoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(3-imidazo[1,5-a]pyridin-1-ylphenoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(3-imidazo[1,5-a]pyridin-1-ylphenoxy)phenyl]-1,2,4-oxadiazole is c1cc(Oc2cccc(-c3ncn4ccccc34)c2)cc(-c2ncno2)c1.
What is the InChIKey of 5-[3-(3-imidazo[1,5-a]pyridin-1-ylphenoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is OKSDVLLPXGYDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c1-2-10-25-14-23-20(19(25)9-1)15-5-3-7-17(11-15)26-18-8-4-6-16(12-18)21-22-13-24-27-21/h1-14H.
What are the key properties of 5-[3-(3-imidazo[1,5-a]pyridin-1-ylphenoxy)phenyl]-1,2,4-oxadiazole?
5-[3-(3-imidazo[1,5-a]pyridin-1-ylphenoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 354.37 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-imidazo[1,5-a]pyridin-1-ylphenoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 140928850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).