2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane

C9H15N3O3 — CID 143610880

IUPAC2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane
SMILESCC.CC1(C)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C7H9N3O3.C2H6/c1-7(2)4-9-3-5(10(11)12)8-6(9)13-7;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyGHQOSQSPEWRXNS-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.99
Rot. Bonds1

About 2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane

2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane (PubChem CID 143610880) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane.

Molecular Properties

Compound Name2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane
PubChem CID143610880
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane
SMILESCC.CC1(C)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C7H9N3O3.C2H6/c1-7(2)4-9-3-5(10(11)12)8-6(9)13-7;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyGHQOSQSPEWRXNS-UHFFFAOYSA-N
XLogP1.99
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.99
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 2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane?
The IUPAC name of 2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane (CID 143610880) is 2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane.
What is the SMILES notation for 2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane?
The canonical SMILES for 2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane is CC.CC1(C)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane?
The InChIKey is GHQOSQSPEWRXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3.C2H6/c1-7(2)4-9-3-5(10(11)12)8-6(9)13-7;1-2/h3H,4H2,1-2H3;1-2H3.
What are the key properties of 2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane?
2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane has a molecular weight of 213.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole;ethane is sourced from PubChem (CID 143610880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).