5-nitro-4,5-dihydro-1,2-oxazole

C3H4N2O3 — CID 14971736

IUPAC5-nitro-4,5-dihydro-1,2-oxazole
SMILESO=[N+]([O-])C1CC=NO1
InChIInChI=1S/C3H4N2O3/c6-5(7)3-1-2-4-8-3/h2-3H,1H2
InChIKeyQYLHVVUQGDWOIW-UHFFFAOYSA-N
MW116.08 g/mol
LogP-0.00
Rot. Bonds1

About 5-nitro-4,5-dihydro-1,2-oxazole

5-nitro-4,5-dihydro-1,2-oxazole (PubChem CID 14971736) has the molecular formula C3H4N2O3 and a molecular weight of 116.08 g/mol. Its IUPAC name is 5-nitro-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-nitro-4,5-dihydro-1,2-oxazole
PubChem CID14971736
Molecular FormulaC3H4N2O3
Molecular Weight116.08 g/mol
Exact Mass116.02
IUPAC Name5-nitro-4,5-dihydro-1,2-oxazole
SMILESO=[N+]([O-])C1CC=NO1
InChIInChI=1S/C3H4N2O3/c6-5(7)3-1-2-4-8-3/h2-3H,1H2
InChIKeyQYLHVVUQGDWOIW-UHFFFAOYSA-N
XLogP-0.00
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.08
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-nitro-4,5-dihydro-1,2-oxazole (CID 14971736) is 5-nitro-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-nitro-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-nitro-4,5-dihydro-1,2-oxazole is O=[N+]([O-])C1CC=NO1.
What is the InChIKey of 5-nitro-4,5-dihydro-1,2-oxazole?
The InChIKey is QYLHVVUQGDWOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O3/c6-5(7)3-1-2-4-8-3/h2-3H,1H2.
What are the key properties of 5-nitro-4,5-dihydro-1,2-oxazole?
5-nitro-4,5-dihydro-1,2-oxazole has a molecular weight of 116.08 g/mol, XLogP of -0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 14971736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).