3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole

C16H17ClN4O2 — CID 56527895

IUPAC3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(OCCCCCn2cccn2)n1
InChIInChI=1S/C16H17ClN4O2/c17-14-8-3-2-7-13(14)15-19-16(23-20-15)22-12-5-1-4-10-21-11-6-9-18-21/h2-3,6-9,11H,1,4-5,10,12H2
InChIKeyJCDKLPCVRHXMER-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.84
Rot. Bonds8

About 3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole

3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole (PubChem CID 56527895) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole
PubChem CID56527895
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(OCCCCCn2cccn2)n1
InChIInChI=1S/C16H17ClN4O2/c17-14-8-3-2-7-13(14)15-19-16(23-20-15)22-12-5-1-4-10-21-11-6-9-18-21/h2-3,6-9,11H,1,4-5,10,12H2
InChIKeyJCDKLPCVRHXMER-UHFFFAOYSA-N
XLogP3.84
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole (CID 56527895) is 3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole is Clc1ccccc1-c1noc(OCCCCCn2cccn2)n1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole?
The InChIKey is JCDKLPCVRHXMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-14-8-3-2-7-13(14)15-19-16(23-20-15)22-12-5-1-4-10-21-11-6-9-18-21/h2-3,6-9,11H,1,4-5,10,12H2.
What are the key properties of 3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole has a molecular weight of 332.79 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole is sourced from PubChem (CID 56527895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).