5-(azidomethyl)-3-propyl-1,2,4-oxadiazole

C6H9N5O — CID 61374395

IUPAC5-(azidomethyl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN=[N+]=[N-])n1
InChIInChI=1S/C6H9N5O/c1-2-3-5-9-6(12-10-5)4-8-11-7/h2-4H2,1H3
InChIKeyWXLKPAJYRRKFLZ-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.83
Rot. Bonds4

About 5-(azidomethyl)-3-propyl-1,2,4-oxadiazole

5-(azidomethyl)-3-propyl-1,2,4-oxadiazole (PubChem CID 61374395) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 5-(azidomethyl)-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azidomethyl)-3-propyl-1,2,4-oxadiazole
PubChem CID61374395
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name5-(azidomethyl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CN=[N+]=[N-])n1
InChIInChI=1S/C6H9N5O/c1-2-3-5-9-6(12-10-5)4-8-11-7/h2-4H2,1H3
InChIKeyWXLKPAJYRRKFLZ-UHFFFAOYSA-N
XLogP1.83
TPSA87.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-(azidomethyl)-3-propyl-1,2,4-oxadiazole (CID 61374395) is 5-(azidomethyl)-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azidomethyl)-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(azidomethyl)-3-propyl-1,2,4-oxadiazole is CCCc1noc(CN=[N+]=[N-])n1.
What is the InChIKey of 5-(azidomethyl)-3-propyl-1,2,4-oxadiazole?
The InChIKey is WXLKPAJYRRKFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c1-2-3-5-9-6(12-10-5)4-8-11-7/h2-4H2,1H3.
What are the key properties of 5-(azidomethyl)-3-propyl-1,2,4-oxadiazole?
5-(azidomethyl)-3-propyl-1,2,4-oxadiazole has a molecular weight of 167.17 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 61374395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).