5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole

C24H39N3O — CID 122498455

IUPAC5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCCCC(C)CCCCC(CCC(C)CCC)c1nc(-c2ccccn2)no1
InChIInChI=1S/C24H39N3O/c1-5-11-19(3)13-7-8-14-21(17-16-20(4)12-6-2)24-26-23(27-28-24)22-15-9-10-18-25-22/h9-10,15,18-21H,5-8,11-14,16-17H2,1-4H3
InChIKeyCVBHXIUSJHPSMR-UHFFFAOYSA-N
MW385.60 g/mol
LogP7.43
Rot. Bonds14

About 5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole

5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 122498455) has the molecular formula C24H39N3O and a molecular weight of 385.60 g/mol. Its IUPAC name is 5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID122498455
Molecular FormulaC24H39N3O
Molecular Weight385.60 g/mol
Exact Mass385.31
IUPAC Name5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCCCC(C)CCCCC(CCC(C)CCC)c1nc(-c2ccccn2)no1
InChIInChI=1S/C24H39N3O/c1-5-11-19(3)13-7-8-14-21(17-16-20(4)12-6-2)24-26-23(27-28-24)22-15-9-10-18-25-22/h9-10,15,18-21H,5-8,11-14,16-17H2,1-4H3
InChIKeyCVBHXIUSJHPSMR-UHFFFAOYSA-N
XLogP7.43
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(4,12-dimethylpentadecan-7-yl)-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

Frequently Asked Questions

What is the IUPAC name of 5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 122498455) is 5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole is CCCC(C)CCCCC(CCC(C)CCC)c1nc(-c2ccccn2)no1.
What is the InChIKey of 5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is CVBHXIUSJHPSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O/c1-5-11-19(3)13-7-8-14-21(17-16-20(4)12-6-2)24-26-23(27-28-24)22-15-9-10-18-25-22/h9-10,15,18-21H,5-8,11-14,16-17H2,1-4H3.
What are the key properties of 5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 385.60 g/mol, XLogP of 7.43, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,12-dimethylpentadecan-7-yl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 122498455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).