6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole

C8H11N3O3 — CID 59212246

IUPAC6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCC(C)C1Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C8H11N3O3/c1-5(2)6-3-10-4-7(11(12)13)9-8(10)14-6/h4-6H,3H2,1-2H3
InChIKeySWEWXPHEOFYARI-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.21
Rot. Bonds2

About 6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole

6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole (PubChem CID 59212246) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole
PubChem CID59212246
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESCC(C)C1Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C8H11N3O3/c1-5(2)6-3-10-4-7(11(12)13)9-8(10)14-6/h4-6H,3H2,1-2H3
InChIKeySWEWXPHEOFYARI-UHFFFAOYSA-N
XLogP1.21
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.21
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 6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole (CID 59212246) is 6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole is CC(C)C1Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The InChIKey is SWEWXPHEOFYARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(2)6-3-10-4-7(11(12)13)9-8(10)14-6/h4-6H,3H2,1-2H3.
What are the key properties of 6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole has a molecular weight of 197.19 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-propan-2-yl-2,3-dihydroimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59212246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).