6-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

C18H15FN4O4 — CID 50914526

IUPAC6-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OCC(COc1ccc(-c3ccc(F)cc3)cn1)C2
InChIInChI=1S/C18H15FN4O4/c19-15-4-1-13(2-5-15)14-3-6-17(20-7-14)26-10-12-8-22-9-16(23(24)25)21-18(22)27-11-12/h1-7,9,12H,8,10-11H2
InChIKeyYCDRNIZCGKVAJS-UHFFFAOYSA-N
MW370.34 g/mol
LogP3.08
Rot. Bonds5

About 6-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

6-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 50914526) has the molecular formula C18H15FN4O4 and a molecular weight of 370.34 g/mol. Its IUPAC name is 6-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name6-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID50914526
Molecular FormulaC18H15FN4O4
Molecular Weight370.34 g/mol
Exact Mass370.11
IUPAC Name6-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OCC(COc1ccc(-c3ccc(F)cc3)cn1)C2
InChIInChI=1S/C18H15FN4O4/c19-15-4-1-13(2-5-15)14-3-6-17(20-7-14)26-10-12-8-22-9-16(23(24)25)21-18(22)27-11-12/h1-7,9,12H,8,10-11H2
InChIKeyYCDRNIZCGKVAJS-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of 6-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CID 50914526) is 6-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for 6-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for 6-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is O=[N+]([O-])c1cn2c(n1)OCC(COc1ccc(-c3ccc(F)cc3)cn1)C2.
What is the InChIKey of 6-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is YCDRNIZCGKVAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O4/c19-15-4-1-13(2-5-15)14-3-6-17(20-7-14)26-10-12-8-22-9-16(23(24)25)21-18(22)27-11-12/h1-7,9,12H,8,10-11H2.
What are the key properties of 6-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
6-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine has a molecular weight of 370.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 50914526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).