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

C19H15F3N4O5 — CID 50913628

IUPAC2-nitro-7-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC(COc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)CC2
InChIInChI=1S/C19H15F3N4O5/c20-19(21,22)31-14-4-1-12(2-5-14)13-3-6-17(23-9-13)29-11-15-7-8-25-10-16(26(27)28)24-18(25)30-15/h1-6,9-10,15H,7-8,11H2
InChIKeyFLPCAIYJNUVZIV-UHFFFAOYSA-N
MW436.35 g/mol
LogP3.98
Rot. Bonds6

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

2-nitro-7-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 50913628) has the molecular formula C19H15F3N4O5 and a molecular weight of 436.35 g/mol. Its IUPAC name is 2-nitro-7-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name2-nitro-7-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID50913628
Molecular FormulaC19H15F3N4O5
Molecular Weight436.35 g/mol
Exact Mass436.10
IUPAC Name2-nitro-7-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC(COc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)CC2
InChIInChI=1S/C19H15F3N4O5/c20-19(21,22)31-14-4-1-12(2-5-14)13-3-6-17(23-9-13)29-11-15-7-8-25-10-16(26(27)28)24-18(25)30-15/h1-6,9-10,15H,7-8,11H2
InChIKeyFLPCAIYJNUVZIV-UHFFFAOYSA-N
XLogP3.98
TPSA101.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of 2-nitro-7-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CID 50913628) is 2-nitro-7-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for 2-nitro-7-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for 2-nitro-7-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is O=[N+]([O-])c1cn2c(n1)OC(COc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)CC2.
What is the InChIKey of 2-nitro-7-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is FLPCAIYJNUVZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O5/c20-19(21,22)31-14-4-1-12(2-5-14)13-3-6-17(23-9-13)29-11-15-7-8-25-10-16(26(27)28)24-18(25)30-15/h1-6,9-10,15H,7-8,11H2.
What are the key properties of 2-nitro-7-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
2-nitro-7-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine has a molecular weight of 436.35 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-7-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 50913628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).