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

C13H11F3N4O4 — CID 166629487

IUPAC2-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC(COc1ccc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C13H11F3N4O4/c14-13(15,16)8-1-2-11(17-5-8)23-7-9-3-4-19-6-10(20(21)22)18-12(19)24-9/h1-2,5-6,9H,3-4,7H2
InChIKeyDXBCCYFFMPEPOD-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.44
Rot. Bonds4

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

2-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 166629487) has the molecular formula C13H11F3N4O4 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name2-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID166629487
Molecular FormulaC13H11F3N4O4
Molecular Weight344.25 g/mol
Exact Mass344.07
IUPAC Name2-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC(COc1ccc(C(F)(F)F)cn1)CC2
InChIInChI=1S/C13H11F3N4O4/c14-13(15,16)8-1-2-11(17-5-8)23-7-9-3-4-19-6-10(20(21)22)18-12(19)24-9/h1-2,5-6,9H,3-4,7H2
InChIKeyDXBCCYFFMPEPOD-UHFFFAOYSA-N
XLogP2.44
TPSA92.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.44
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-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of 2-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CID 166629487) is 2-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for 2-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for 2-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is O=[N+]([O-])c1cn2c(n1)OC(COc1ccc(C(F)(F)F)cn1)CC2.
What is the InChIKey of 2-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is DXBCCYFFMPEPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O4/c14-13(15,16)8-1-2-11(17-5-8)23-7-9-3-4-19-6-10(20(21)22)18-12(19)24-9/h1-2,5-6,9H,3-4,7H2.
What are the key properties of 2-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
2-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine has a molecular weight of 344.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-7-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 166629487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).