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

C11H13N3O — CID 26772271

IUPAC5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCCCCc1nc(-c2ccccn2)no1
InChIInChI=1S/C11H13N3O/c1-2-3-7-10-13-11(14-15-10)9-6-4-5-8-12-9/h4-6,8H,2-3,7H2,1H3
InChIKeyCBTIVXQPAICXGQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.47
Rot. Bonds4

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

5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 26772271) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID26772271
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCCCCc1nc(-c2ccccn2)no1
InChIInChI=1S/C11H13N3O/c1-2-3-7-10-13-11(14-15-10)9-6-4-5-8-12-9/h4-6,8H,2-3,7H2,1H3
InChIKeyCBTIVXQPAICXGQ-UHFFFAOYSA-N
XLogP2.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752286
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980573
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345489
N,N-dipropyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869082
5-pentyl-3-phenyl-1,2,4-oxadiazole
CID 19658049
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
N-methylsulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47269714
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine
CID 79273565
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
3-pyridin-2-yl-5-(tetrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 75370384

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole (CID 26772271) is 5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole is CCCCc1nc(-c2ccccn2)no1.
What is the InChIKey of 5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is CBTIVXQPAICXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-3-7-10-13-11(14-15-10)9-6-4-5-8-12-9/h4-6,8H,2-3,7H2,1H3.
What are the key properties of 5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole?
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 203.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 26772271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).