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

C12H15N3O — CID 154530032

IUPAC5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCC(C)CCc1nc(-c2ccccn2)no1
InChIInChI=1S/C12H15N3O/c1-9(2)6-7-11-14-12(15-16-11)10-5-3-4-8-13-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyRHMYUQXANULMLP-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.72
Rot. Bonds4

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

5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 154530032) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID154530032
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCC(C)CCc1nc(-c2ccccn2)no1
InChIInChI=1S/C12H15N3O/c1-9(2)6-7-11-14-12(15-16-11)10-5-3-4-8-13-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyRHMYUQXANULMLP-UHFFFAOYSA-N
XLogP2.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345489
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752286
4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]butan-2-amine
CID 66235085
(2R)-4-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119363928
6-propan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 72885432
(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875727
3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43099782
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
N-(4-propan-2-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39892908
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
5-[3-(2-methoxyphenyl)-2-methylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 126775001

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 154530032) is 5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole is CC(C)CCc1nc(-c2ccccn2)no1.
What is the InChIKey of 5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is RHMYUQXANULMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(2)6-7-11-14-12(15-16-11)10-5-3-4-8-13-10/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 217.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 154530032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).