7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine

C19H17FN4O4 — CID 50914544

IUPAC7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine
SMILESCC1(COc2ccc(-c3ccc(F)cc3)cn2)CCn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C19H17FN4O4/c1-19(8-9-23-11-16(24(25)26)22-18(23)28-19)12-27-17-7-4-14(10-21-17)13-2-5-15(20)6-3-13/h2-7,10-11H,8-9,12H2,1H3
InChIKeyAGWAOZJROKGNRO-UHFFFAOYSA-N
MW384.37 g/mol
LogP3.61
Rot. Bonds5

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

7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine (PubChem CID 50914544) has the molecular formula C19H17FN4O4 and a molecular weight of 384.37 g/mol. Its IUPAC name is 7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine
PubChem CID50914544
Molecular FormulaC19H17FN4O4
Molecular Weight384.37 g/mol
Exact Mass384.12
IUPAC Name7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine
SMILESCC1(COc2ccc(-c3ccc(F)cc3)cn2)CCn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C19H17FN4O4/c1-19(8-9-23-11-16(24(25)26)22-18(23)28-19)12-27-17-7-4-14(10-21-17)13-2-5-15(20)6-3-13/h2-7,10-11H,8-9,12H2,1H3
InChIKeyAGWAOZJROKGNRO-UHFFFAOYSA-N
XLogP3.61
TPSA92.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 53.61
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]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine?
The IUPAC name of 7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine (CID 50914544) is 7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for 7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine?
The canonical SMILES for 7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine is CC1(COc2ccc(-c3ccc(F)cc3)cn2)CCn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine?
The InChIKey is AGWAOZJROKGNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O4/c1-19(8-9-23-11-16(24(25)26)22-18(23)28-19)12-27-17-7-4-14(10-21-17)13-2-5-15(20)6-3-13/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of 7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine?
7-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine has a molecular weight of 384.37 g/mol, XLogP of 3.61, 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]-7-methyl-2-nitro-5,6-dihydroimidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 50914544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).