5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole

C19H17N3O2 — CID 71618661

IUPAC5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole
SMILESCCC(OC)c1nc(-c2ccc(C#Cc3ccncc3)cc2)no1
InChIInChI=1S/C19H17N3O2/c1-3-17(23-2)19-21-18(22-24-19)16-8-6-14(7-9-16)4-5-15-10-12-20-13-11-15/h6-13,17H,3H2,1-2H3
InChIKeyUKAPHBFASIWVLF-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.63
Rot. Bonds4

About 5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole

5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole (PubChem CID 71618661) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole
PubChem CID71618661
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole
SMILESCCC(OC)c1nc(-c2ccc(C#Cc3ccncc3)cc2)no1
InChIInChI=1S/C19H17N3O2/c1-3-17(23-2)19-21-18(22-24-19)16-8-6-14(7-9-16)4-5-15-10-12-20-13-11-15/h6-13,17H,3H2,1-2H3
InChIKeyUKAPHBFASIWVLF-UHFFFAOYSA-N
XLogP3.63
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-5-(1-methoxypropyl)-1,2,4-oxadiazole
CID 71088301
N'-hydroxy-4-(2-pyridin-4-ylethynyl)benzenecarboximidamide;2-methoxybutanoic acid;5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 172929025
5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole
CID 71088085
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109420
5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
CID 91114628
3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-5-(1-methoxyethyl)-1,2,4-oxadiazole
CID 71088056
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
4-[2-(4-methoxyphenyl)ethynyl]pyridine
CID 4595253
2-methoxy-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109335
3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
CID 2923172
[4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892639

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole (CID 71618661) is 5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole is CCC(OC)c1nc(-c2ccc(C#Cc3ccncc3)cc2)no1.
What is the InChIKey of 5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is UKAPHBFASIWVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-3-17(23-2)19-21-18(22-24-19)16-8-6-14(7-9-16)4-5-15-10-12-20-13-11-15/h6-13,17H,3H2,1-2H3.
What are the key properties of 5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole?
5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 319.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71618661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).