5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole

C11H13N3O — CID 91114628

IUPAC5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCC(C)c1nc(-c2ccncc2)no1
InChIInChI=1S/C11H13N3O/c1-3-8(2)11-13-10(14-15-11)9-4-6-12-7-5-9/h4-8H,3H2,1-2H3
InChIKeyOOXPYTAVDSCDNG-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.65
Rot. Bonds3

About 5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole

5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 91114628) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID91114628
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCC(C)c1nc(-c2ccncc2)no1
InChIInChI=1S/C11H13N3O/c1-3-8(2)11-13-10(14-15-11)9-4-6-12-7-5-9/h4-8H,3H2,1-2H3
InChIKeyOOXPYTAVDSCDNG-UHFFFAOYSA-N
XLogP2.65
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(4-bromophenyl)-5-[(2S)-butan-2-yl]-1,2,4-oxadiazole
CID 90311133
5-pentan-3-yl-3-(4-pyridin-4-ylphenyl)-1,2,4-oxadiazole
CID 71088085
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
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
5-[(1R)-1-(4-methylphenyl)sulfanylethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2233921
5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 7233187
N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentanamine
CID 50971962
5-(1-methoxypropyl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole
CID 71618661
N-ethyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62851902
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347367
5-[(2R)-butan-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 90326086

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole (CID 91114628) is 5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole is CCC(C)c1nc(-c2ccncc2)no1.
What is the InChIKey of 5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is OOXPYTAVDSCDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-8(2)11-13-10(14-15-11)9-4-6-12-7-5-9/h4-8H,3H2,1-2H3.
What are the key properties of 5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole?
5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 203.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 91114628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).