sodium;3,5-dimethyl-4-nitro-1,2-oxazole;hydride

C5H7N2NaO3 — CID 174723660

IUPACsodium;3,5-dimethyl-4-nitro-1,2-oxazole;hydride
SMILESCc1noc(C)c1[N+](=O)[O-].[H-].[Na+]
InChIInChI=1S/C5H6N2O3.Na.H/c1-3-5(7(8)9)4(2)10-6-3;;/h1-2H3;;/q;+1;-1
InChIKeyBWXVGOOOOSDJKE-UHFFFAOYSA-N
MW166.11 g/mol
LogP-1.68
Rot. Bonds1

About sodium;3,5-dimethyl-4-nitro-1,2-oxazole;hydride

sodium;3,5-dimethyl-4-nitro-1,2-oxazole;hydride (PubChem CID 174723660) has the molecular formula C5H7N2NaO3 and a molecular weight of 166.11 g/mol. Its IUPAC name is sodium;3,5-dimethyl-4-nitro-1,2-oxazole;hydride.

Molecular Properties

Compound Namesodium;3,5-dimethyl-4-nitro-1,2-oxazole;hydride
PubChem CID174723660
Molecular FormulaC5H7N2NaO3
Molecular Weight166.11 g/mol
Exact Mass166.04
IUPAC Namesodium;3,5-dimethyl-4-nitro-1,2-oxazole;hydride
SMILESCc1noc(C)c1[N+](=O)[O-].[H-].[Na+]
InChIInChI=1S/C5H6N2O3.Na.H/c1-3-5(7(8)9)4(2)10-6-3;;/h1-2H3;;/q;+1;-1
InChIKeyBWXVGOOOOSDJKE-UHFFFAOYSA-N
XLogP-1.68
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 5-1.68
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 sodium;3,5-dimethyl-4-nitro-1,2-oxazole;hydride?
The IUPAC name of sodium;3,5-dimethyl-4-nitro-1,2-oxazole;hydride (CID 174723660) is sodium;3,5-dimethyl-4-nitro-1,2-oxazole;hydride.
What is the SMILES notation for sodium;3,5-dimethyl-4-nitro-1,2-oxazole;hydride?
The canonical SMILES for sodium;3,5-dimethyl-4-nitro-1,2-oxazole;hydride is Cc1noc(C)c1[N+](=O)[O-].[H-].[Na+].
What is the InChIKey of sodium;3,5-dimethyl-4-nitro-1,2-oxazole;hydride?
The InChIKey is BWXVGOOOOSDJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3.Na.H/c1-3-5(7(8)9)4(2)10-6-3;;/h1-2H3;;/q;+1;-1.
What are the key properties of sodium;3,5-dimethyl-4-nitro-1,2-oxazole;hydride?
sodium;3,5-dimethyl-4-nitro-1,2-oxazole;hydride has a molecular weight of 166.11 g/mol, XLogP of -1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3,5-dimethyl-4-nitro-1,2-oxazole;hydride is sourced from PubChem (CID 174723660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).