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

C15H11N5OS — CID 53171763

IUPAC3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccc(-n4ccnc4)nc3)no2)s1
InChIInChI=1S/C15H11N5OS/c1-10-2-4-12(22-10)15-18-14(19-21-15)11-3-5-13(17-8-11)20-7-6-16-9-20/h2-9H,1H3
InChIKeyVGYBAPNLNDJVDH-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.35
Rot. Bonds3

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

3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole (PubChem CID 53171763) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
PubChem CID53171763
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccc(-n4ccnc4)nc3)no2)s1
InChIInChI=1S/C15H11N5OS/c1-10-2-4-12(22-10)15-18-14(19-21-15)11-3-5-13(17-8-11)20-7-6-16-9-20/h2-9H,1H3
InChIKeyVGYBAPNLNDJVDH-UHFFFAOYSA-N
XLogP3.35
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-imidazol-1-yl-3-pyridinyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 53171748
3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 75528009
5-(1-cyclohexylpyrrolidin-2-yl)-3-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 75131350
5-(4-methylphenyl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 53171722
6-imidazol-1-yl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridin-3-amine
CID 43710648
N-[4-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]ethanesulfonamide
CID 46380468
3-(5-methylthiophen-2-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 46361414
3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 53138490
N-hydroxy-4-[[(2S)-2-[3-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzeneamine oxide
CID 163157253
3-(6-imidazol-1-yl-2-pyridinyl)-5-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 166214023
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-N-ethyl-6-imidazol-1-ylpyridin-3-amine
CID 155187624
2-(6-imidazol-1-yl-3-pyridinyl)-1H-indol-5-ol
CID 44552902

Frequently Asked Questions

What is the IUPAC name of 3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole (CID 53171763) is 3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3ccc(-n4ccnc4)nc3)no2)s1.
What is the InChIKey of 3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole?
The InChIKey is VGYBAPNLNDJVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c1-10-2-4-12(22-10)15-18-14(19-21-15)11-3-5-13(17-8-11)20-7-6-16-9-20/h2-9H,1H3.
What are the key properties of 3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole?
3-(6-imidazol-1-yl-3-pyridinyl)-5-(5-methylthiophen-2-yl)-1,2,4-oxadiazole has a molecular weight of 309.35 g/mol, XLogP of 3.35, 3 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-(5-methylthiophen-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53171763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).