5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole

C17H18N4O — CID 71088319

IUPAC5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCC(CC)c1nc(-c2ccc(-c3ccccn3)nc2)no1
InChIInChI=1S/C17H18N4O/c1-3-12(4-2)17-20-16(21-22-17)13-8-9-15(19-11-13)14-7-5-6-10-18-14/h5-12H,3-4H2,1-2H3
InChIKeyJIMHOKSYJZJKMZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP4.10
Rot. Bonds5

About 5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole

5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 71088319) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID71088319
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCCC(CC)c1nc(-c2ccc(-c3ccccn3)nc2)no1
InChIInChI=1S/C17H18N4O/c1-3-12(4-2)17-20-16(21-22-17)13-8-9-15(19-11-13)14-7-5-6-10-18-14/h5-12H,3-4H2,1-2H3
InChIKeyJIMHOKSYJZJKMZ-UHFFFAOYSA-N
XLogP4.10
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole
CID 71088085
5-[(1R)-1-phenylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 803925
2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 65221531
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345401
5-(4-ethylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 5346667
2-ethylbutanoic acid;N'-hydroxy-6-(2-pyridin-2-ylethynyl)pyridine-3-carboximidamide;5-pentan-3-yl-3-[6-(2-pyridin-2-ylethynyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 172963002
(3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
CID 71088339
5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 122498455
2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
propane;2-pyridin-2-ylpyridine
CID 158168510
3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43099782
CID 58175947
CID 58175947

Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 71088319) is 5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole is CCC(CC)c1nc(-c2ccc(-c3ccccn3)nc2)no1.
What is the InChIKey of 5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is JIMHOKSYJZJKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-3-12(4-2)17-20-16(21-22-17)13-8-9-15(19-11-13)14-7-5-6-10-18-14/h5-12H,3-4H2,1-2H3.
What are the key properties of 5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole?
5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 294.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71088319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).