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

C18H15FN4O4 — CID 50913781

IUPAC7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC(COc1ccc(-c3ccc(F)cc3)cn1)CC2
InChIInChI=1S/C18H15FN4O4/c19-14-4-1-12(2-5-14)13-3-6-17(20-9-13)26-11-15-7-8-22-10-16(23(24)25)21-18(22)27-15/h1-6,9-10,15H,7-8,11H2
InChIKeyMCPRPFWJSZDYBF-UHFFFAOYSA-N
MW370.34 g/mol
LogP3.22
Rot. Bonds5

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

7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 50913781) has the molecular formula C18H15FN4O4 and a molecular weight of 370.34 g/mol. Its IUPAC name is 7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID50913781
Molecular FormulaC18H15FN4O4
Molecular Weight370.34 g/mol
Exact Mass370.11
IUPAC Name7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC(COc1ccc(-c3ccc(F)cc3)cn1)CC2
InChIInChI=1S/C18H15FN4O4/c19-14-4-1-12(2-5-14)13-3-6-17(20-9-13)26-11-15-7-8-22-10-16(23(24)25)21-18(22)27-15/h1-6,9-10,15H,7-8,11H2
InChIKeyMCPRPFWJSZDYBF-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 7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of 7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CID 50913781) is 7-[[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 7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for 7-[[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)OC(COc1ccc(-c3ccc(F)cc3)cn1)CC2.
What is the InChIKey of 7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is MCPRPFWJSZDYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O4/c19-14-4-1-12(2-5-14)13-3-6-17(20-9-13)26-11-15-7-8-22-10-16(23(24)25)21-18(22)27-15/h1-6,9-10,15H,7-8,11H2.
What are the key properties of 7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
7-[[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 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 50913781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).