5-nitro-3-propyl-1,2,4-oxadiazole

C5H7N3O3 — CID 35206721

IUPAC5-nitro-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([N+](=O)[O-])n1
InChIInChI=1S/C5H7N3O3/c1-2-3-4-6-5(8(9)10)11-7-4/h2-3H2,1H3
InChIKeyXVTFXEOUEVBKFV-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.93
Rot. Bonds3

About 5-nitro-3-propyl-1,2,4-oxadiazole

5-nitro-3-propyl-1,2,4-oxadiazole (PubChem CID 35206721) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 5-nitro-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-nitro-3-propyl-1,2,4-oxadiazole
PubChem CID35206721
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name5-nitro-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc([N+](=O)[O-])n1
InChIInChI=1S/C5H7N3O3/c1-2-3-4-6-5(8(9)10)11-7-4/h2-3H2,1H3
InChIKeyXVTFXEOUEVBKFV-UHFFFAOYSA-N
XLogP0.93
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-nitro-3-propyl-1,2,4-oxadiazole (CID 35206721) is 5-nitro-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-nitro-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-nitro-3-propyl-1,2,4-oxadiazole is CCCc1noc([N+](=O)[O-])n1.
What is the InChIKey of 5-nitro-3-propyl-1,2,4-oxadiazole?
The InChIKey is XVTFXEOUEVBKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c1-2-3-4-6-5(8(9)10)11-7-4/h2-3H2,1H3.
What are the key properties of 5-nitro-3-propyl-1,2,4-oxadiazole?
5-nitro-3-propyl-1,2,4-oxadiazole has a molecular weight of 157.13 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 35206721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).