3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole

C17H14N6O — CID 95545239

IUPAC3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
SMILESC[C@H](c1nc(-c2cccnc2)no1)n1ccnc1-c1ccncc1
InChIInChI=1S/C17H14N6O/c1-12(17-21-15(22-24-17)14-3-2-6-19-11-14)23-10-9-20-16(23)13-4-7-18-8-5-13/h2-12H,1H3/t12-/m1/s1
InChIKeyAVBNPSHRTJFBAX-GFCCVEGCSA-N
MW318.34 g/mol
LogP3.00
Rot. Bonds4

About 3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole

3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 95545239) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID95545239
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
SMILESC[C@H](c1nc(-c2cccnc2)no1)n1ccnc1-c1ccncc1
InChIInChI=1S/C17H14N6O/c1-12(17-21-15(22-24-17)14-3-2-6-19-11-14)23-10-9-20-16(23)13-4-7-18-8-5-13/h2-12H,1H3/t12-/m1/s1
InChIKeyAVBNPSHRTJFBAX-GFCCVEGCSA-N
XLogP3.00
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

N,N-dimethyl-5-[1-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]imidazol-2-yl]-1,3-thiazol-2-amine
CID 95551886
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
(1S,2R)-1-amino-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 29300337
3-(4-methylphenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527948
(3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 120761263
5-[(1R)-1-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 51930936
5-[(1R)-1-(4-chlorophenyl)sulfanylethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 25421917
N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 63560095
2-phenyl-1-propan-2-ylimidazole
CID 12997870
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2,2-diphenylacetate
CID 46688129
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
2-pyridin-2-yl-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 99926307

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole (CID 95545239) is 3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole is C[C@H](c1nc(-c2cccnc2)no1)n1ccnc1-c1ccncc1.
What is the InChIKey of 3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is AVBNPSHRTJFBAX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H14N6O/c1-12(17-21-15(22-24-17)14-3-2-6-19-11-14)23-10-9-20-16(23)13-4-7-18-8-5-13/h2-12H,1H3/t12-/m1/s1.
What are the key properties of 3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole?
3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 318.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95545239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).