3,4-dipentyl-1,2,5-oxadiazole

C12H22N2O — CID 70008061

IUPAC3,4-dipentyl-1,2,5-oxadiazole
SMILESCCCCCc1nonc1CCCCC
InChIInChI=1S/C12H22N2O/c1-3-5-7-9-11-12(14-15-13-11)10-8-6-4-2/h3-10H2,1-2H3
InChIKeyMJEKGTHXPPSBRW-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.54
Rot. Bonds8

About 3,4-dipentyl-1,2,5-oxadiazole

3,4-dipentyl-1,2,5-oxadiazole (PubChem CID 70008061) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3,4-dipentyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3,4-dipentyl-1,2,5-oxadiazole
PubChem CID70008061
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3,4-dipentyl-1,2,5-oxadiazole
SMILESCCCCCc1nonc1CCCCC
InChIInChI=1S/C12H22N2O/c1-3-5-7-9-11-12(14-15-13-11)10-8-6-4-2/h3-10H2,1-2H3
InChIKeyMJEKGTHXPPSBRW-UHFFFAOYSA-N
XLogP3.54
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4,5,6-tripentylpyrimidine
CID 66935521
1,4-dihexylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 141389615
4,5,6-tripentyl-2-propylpyrimidine
CID 90692592
4-methyl-5-octyl-2H-triazole
CID 21337908
4,5,6-trioctylpyrimidine
CID 91147699
4,5,6-tri(nonadecyl)pyrimidine
CID 91803097
3-hexyl-4,6-dimethylthieno[3,4-d][1,2]oxazole
CID 118579454
4,5-dibutyl-2H-triazole
CID 54195681
2-propyl-4,5,6-tri(tetracosyl)pyrimidine
CID 91806969
3-pentyl-1,2,4-oxadiazol-5-amine
CID 139520354
4,5,6-tri(docosyl)-2-propylpyrimidine
CID 90898493
2-ethyl-4,5,6-tri(heptadecyl)pyrimidine
CID 91384633

Frequently Asked Questions

What is the IUPAC name of 3,4-dipentyl-1,2,5-oxadiazole?
The IUPAC name of 3,4-dipentyl-1,2,5-oxadiazole (CID 70008061) is 3,4-dipentyl-1,2,5-oxadiazole.
What is the SMILES notation for 3,4-dipentyl-1,2,5-oxadiazole?
The canonical SMILES for 3,4-dipentyl-1,2,5-oxadiazole is CCCCCc1nonc1CCCCC.
What is the InChIKey of 3,4-dipentyl-1,2,5-oxadiazole?
The InChIKey is MJEKGTHXPPSBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-5-7-9-11-12(14-15-13-11)10-8-6-4-2/h3-10H2,1-2H3.
What are the key properties of 3,4-dipentyl-1,2,5-oxadiazole?
3,4-dipentyl-1,2,5-oxadiazole has a molecular weight of 210.32 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dipentyl-1,2,5-oxadiazole is sourced from PubChem (CID 70008061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).