2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

C18H15FN4O4 — CID 50913185

IUPAC2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
SMILESCC1(COc2ccc(-c3ccc(F)cc3)nc2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C18H15FN4O4/c1-18(10-22-9-16(23(24)25)21-17(22)27-18)11-26-14-6-7-15(20-8-14)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3
InChIKeyAWBRPWXFUXJVEG-UHFFFAOYSA-N
MW370.34 g/mol
LogP3.22
Rot. Bonds5

About 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole (PubChem CID 50913185) has the molecular formula C18H15FN4O4 and a molecular weight of 370.34 g/mol. Its IUPAC name is 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
PubChem CID50913185
Molecular FormulaC18H15FN4O4
Molecular Weight370.34 g/mol
Exact Mass370.11
IUPAC Name2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
SMILESCC1(COc2ccc(-c3ccc(F)cc3)nc2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C18H15FN4O4/c1-18(10-22-9-16(23(24)25)21-17(22)27-18)11-26-14-6-7-15(20-8-14)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3
InChIKeyAWBRPWXFUXJVEG-UHFFFAOYSA-N
XLogP3.22
TPSA92.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 53.22
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 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole (CID 50913185) is 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole is CC1(COc2ccc(-c3ccc(F)cc3)nc2)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The InChIKey is AWBRPWXFUXJVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O4/c1-18(10-22-9-16(23(24)25)21-17(22)27-18)11-26-14-6-7-15(20-8-14)12-2-4-13(19)5-3-12/h2-9H,10-11H2,1H3.
What are the key properties of 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole has a molecular weight of 370.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 50913185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).