7-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine

C13H13FN4O4 — CID 166635743

IUPAC7-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine
SMILESCC1(COc2ccc(F)cn2)CCn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C13H13FN4O4/c1-13(8-21-11-3-2-9(14)6-15-11)4-5-17-7-10(18(19)20)16-12(17)22-13/h2-3,6-7H,4-5,8H2,1H3
InChIKeyJKFWNSFZHOZSGT-UHFFFAOYSA-N
MW308.27 g/mol
LogP1.95
Rot. Bonds4

About 7-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine

7-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine (PubChem CID 166635743) has the molecular formula C13H13FN4O4 and a molecular weight of 308.27 g/mol. Its IUPAC name is 7-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name7-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine
PubChem CID166635743
Molecular FormulaC13H13FN4O4
Molecular Weight308.27 g/mol
Exact Mass308.09
IUPAC Name7-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine
SMILESCC1(COc2ccc(F)cn2)CCn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C13H13FN4O4/c1-13(8-21-11-3-2-9(14)6-15-11)4-5-17-7-10(18(19)20)16-12(17)22-13/h2-3,6-7H,4-5,8H2,1H3
InChIKeyJKFWNSFZHOZSGT-UHFFFAOYSA-N
XLogP1.95
TPSA92.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 51.95
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-fluoro-2-pyridinyl)oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine?
The IUPAC name of 7-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine (CID 166635743) is 7-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for 7-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine?
The canonical SMILES for 7-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine is CC1(COc2ccc(F)cn2)CCn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 7-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine?
The InChIKey is JKFWNSFZHOZSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O4/c1-13(8-21-11-3-2-9(14)6-15-11)4-5-17-7-10(18(19)20)16-12(17)22-13/h2-3,6-7H,4-5,8H2,1H3.
What are the key properties of 7-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine?
7-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine has a molecular weight of 308.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 166635743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).