6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole

C13H10F3N3O5 — CID 50912906

IUPAC6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESO=[N+]([O-])c1cn2c(n1)OC(COc1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C13H10F3N3O5/c14-13(15,16)24-9-3-1-8(2-4-9)22-7-10-5-18-6-11(19(20)21)17-12(18)23-10/h1-4,6,10H,5,7H2
InChIKeyQUMAYTSFYCTSLG-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.53
Rot. Bonds5

About 6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole

6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole (PubChem CID 50912906) has the molecular formula C13H10F3N3O5 and a molecular weight of 345.23 g/mol. Its IUPAC name is 6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole
PubChem CID50912906
Molecular FormulaC13H10F3N3O5
Molecular Weight345.23 g/mol
Exact Mass345.06
IUPAC Name6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESO=[N+]([O-])c1cn2c(n1)OC(COc1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C13H10F3N3O5/c14-13(15,16)24-9-3-1-8(2-4-9)22-7-10-5-18-6-11(19(20)21)17-12(18)23-10/h1-4,6,10H,5,7H2
InChIKeyQUMAYTSFYCTSLG-UHFFFAOYSA-N
XLogP2.53
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole (CID 50912906) is 6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole is O=[N+]([O-])c1cn2c(n1)OC(COc1ccc(OC(F)(F)F)cc1)C2.
What is the InChIKey of 6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The InChIKey is QUMAYTSFYCTSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O5/c14-13(15,16)24-9-3-1-8(2-4-9)22-7-10-5-18-6-11(19(20)21)17-12(18)23-10/h1-4,6,10H,5,7H2.
What are the key properties of 6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole has a molecular weight of 345.23 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-[[4-(trifluoromethoxy)phenoxy]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 50912906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).