3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole

C17H13N5O2 — CID 53171748

IUPAC3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(-c3ccc(-n4ccnc4)nc3)no2)c1
InChIInChI=1S/C17H13N5O2/c1-23-14-4-2-3-12(9-14)17-20-16(21-24-17)13-5-6-15(19-10-13)22-8-7-18-11-22/h2-11H,1H3
InChIKeyYYBRYTHXEKLRSZ-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.99
Rot. Bonds4

About 3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole

3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 53171748) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID53171748
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(-c3ccc(-n4ccnc4)nc3)no2)c1
InChIInChI=1S/C17H13N5O2/c1-23-14-4-2-3-12(9-14)17-20-16(21-24-17)13-5-6-15(19-10-13)22-8-7-18-11-22/h2-11H,1H3
InChIKeyYYBRYTHXEKLRSZ-UHFFFAOYSA-N
XLogP2.99
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 53171763
3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 75528009
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 154844159
3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779241
5-(3-methoxyphenyl)-3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53172731
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529
3-(3-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole
CID 99963028
3-(4-methoxyphenyl)-5-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53126709
1-[2-(3-methoxyphenyl)phenyl]imidazole
CID 57072963
3-(3-methoxyphenyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole
CID 2983228
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496

Frequently Asked Questions

What is the IUPAC name of 3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 53171748) is 3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2nc(-c3ccc(-n4ccnc4)nc3)no2)c1.
What is the InChIKey of 3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is YYBRYTHXEKLRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-23-14-4-2-3-12(9-14)17-20-16(21-24-17)13-5-6-15(19-10-13)22-8-7-18-11-22/h2-11H,1H3.
What are the key properties of 3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole?
3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 319.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53171748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).