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

C18H14FN3O4 — CID 50913041

IUPAC2-[[4-(4-fluorophenyl)phenoxy]methyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESO=[N+]([O-])c1cn2c(n1)OC(COc1ccc(-c3ccc(F)cc3)cc1)C2
InChIInChI=1S/C18H14FN3O4/c19-14-5-1-12(2-6-14)13-3-7-15(8-4-13)25-11-16-9-21-10-17(22(23)24)20-18(21)26-16/h1-8,10,16H,9,11H2
InChIKeyCYOWZVHJZBXWDW-UHFFFAOYSA-N
MW355.33 g/mol
LogP3.44
Rot. Bonds5

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

2-[[4-(4-fluorophenyl)phenoxy]methyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole (PubChem CID 50913041) has the molecular formula C18H14FN3O4 and a molecular weight of 355.33 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)phenoxy]methyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)phenoxy]methyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
PubChem CID50913041
Molecular FormulaC18H14FN3O4
Molecular Weight355.33 g/mol
Exact Mass355.10
IUPAC Name2-[[4-(4-fluorophenyl)phenoxy]methyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESO=[N+]([O-])c1cn2c(n1)OC(COc1ccc(-c3ccc(F)cc3)cc1)C2
InChIInChI=1S/C18H14FN3O4/c19-14-5-1-12(2-6-14)13-3-7-15(8-4-13)25-11-16-9-21-10-17(22(23)24)20-18(21)26-16/h1-8,10,16H,9,11H2
InChIKeyCYOWZVHJZBXWDW-UHFFFAOYSA-N
XLogP3.44
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 53.44
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-[[4-(4-fluorophenyl)phenoxy]methyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 2-[[4-(4-fluorophenyl)phenoxy]methyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole (CID 50913041) is 2-[[4-(4-fluorophenyl)phenoxy]methyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)phenoxy]methyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 2-[[4-(4-fluorophenyl)phenoxy]methyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole is O=[N+]([O-])c1cn2c(n1)OC(COc1ccc(-c3ccc(F)cc3)cc1)C2.
What is the InChIKey of 2-[[4-(4-fluorophenyl)phenoxy]methyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The InChIKey is CYOWZVHJZBXWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4/c19-14-5-1-12(2-6-14)13-3-7-15(8-4-13)25-11-16-9-21-10-17(22(23)24)20-18(21)26-16/h1-8,10,16H,9,11H2.
What are the key properties of 2-[[4-(4-fluorophenyl)phenoxy]methyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
2-[[4-(4-fluorophenyl)phenoxy]methyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole has a molecular weight of 355.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)phenoxy]methyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 50913041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).