2-(methoxymethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole

C7H9N3O4 — CID 12570030

IUPAC2-(methoxymethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCOCC1Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C7H9N3O4/c1-13-4-5-2-9-3-6(10(11)12)8-7(9)14-5/h3,5H,2,4H2,1H3
InChIKeyWPUARJMRQQUYAY-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.20
Rot. Bonds3

About 2-(methoxymethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole

2-(methoxymethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole (PubChem CID 12570030) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name2-(methoxymethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
PubChem CID12570030
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name2-(methoxymethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCOCC1Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C7H9N3O4/c1-13-4-5-2-9-3-6(10(11)12)8-7(9)14-5/h3,5H,2,4H2,1H3
InChIKeyWPUARJMRQQUYAY-UHFFFAOYSA-N
XLogP0.20
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2-(methoxymethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 2-(methoxymethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole (CID 12570030) is 2-(methoxymethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 2-(methoxymethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 2-(methoxymethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole is COCC1Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 2-(methoxymethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The InChIKey is WPUARJMRQQUYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-13-4-5-2-9-3-6(10(11)12)8-7(9)14-5/h3,5H,2,4H2,1H3.
What are the key properties of 2-(methoxymethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
2-(methoxymethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole has a molecular weight of 199.17 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 12570030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).