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

C18H19N3O — CID 71088085

IUPAC5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole
SMILESCCC(CC)c1nc(-c2ccc(-c3ccncc3)cc2)no1
InChIInChI=1S/C18H19N3O/c1-3-13(4-2)18-20-17(21-22-18)16-7-5-14(6-8-16)15-9-11-19-12-10-15/h5-13H,3-4H2,1-2H3
InChIKeyOGZSNQHVQGXSAO-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.70
Rot. Bonds5

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

5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole (PubChem CID 71088085) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole
PubChem CID71088085
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole
SMILESCCC(CC)c1nc(-c2ccc(-c3ccncc3)cc2)no1
InChIInChI=1S/C18H19N3O/c1-3-13(4-2)18-20-17(21-22-18)16-7-5-14(6-8-16)15-9-11-19-12-10-15/h5-13H,3-4H2,1-2H3
InChIKeyOGZSNQHVQGXSAO-UHFFFAOYSA-N
XLogP4.70
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
CID 91114628
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345490
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630127
5-pentan-3-yl-3-(6-pyridin-2-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 71088319
5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole
CID 71618661
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
3-(4-bromophenyl)-5-[(2S)-butan-2-yl]-1,2,4-oxadiazole
CID 90311133
5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 7233187
5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2233921
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-pyridin-4-ylbenzamide
CID 25211295
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65222968
3-(4-chlorophenyl)-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 63773021

Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole (CID 71088085) is 5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole is CCC(CC)c1nc(-c2ccc(-c3ccncc3)cc2)no1.
What is the InChIKey of 5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is OGZSNQHVQGXSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-3-13(4-2)18-20-17(21-22-18)16-7-5-14(6-8-16)15-9-11-19-12-10-15/h5-13H,3-4H2,1-2H3.
What are the key properties of 5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole?
5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 293.37 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71088085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).