2-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

C18H15FN4O4 — CID 50913046

IUPAC2-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
SMILESCC1(COc2ccc(-c3ccc(F)cc3)cn2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C18H15FN4O4/c1-18(10-22-9-15(23(24)25)21-17(22)27-18)11-26-16-7-4-13(8-20-16)12-2-5-14(19)6-3-12/h2-9H,10-11H2,1H3
InChIKeyCSLSSIUGFJHMLO-UHFFFAOYSA-N
MW370.34 g/mol
LogP3.22
Rot. Bonds5

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

2-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole (PubChem CID 50913046) has the molecular formula C18H15FN4O4 and a molecular weight of 370.34 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
PubChem CID50913046
Molecular FormulaC18H15FN4O4
Molecular Weight370.34 g/mol
Exact Mass370.11
IUPAC Name2-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
SMILESCC1(COc2ccc(-c3ccc(F)cc3)cn2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C18H15FN4O4/c1-18(10-22-9-15(23(24)25)21-17(22)27-18)11-26-16-7-4-13(8-20-16)12-2-5-14(19)6-3-12/h2-9H,10-11H2,1H3
InChIKeyCSLSSIUGFJHMLO-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'}

Analyze 2-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole with MolForge

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Related Compounds

Tba-354
CID 49836057
Dndi-0690
CID 137634027
7-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 50913782
(6S)-2-nitro-6-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 49851011
(6S)-6-[[5-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 49851106
(6S)-6-[[6-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pyridyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 49851398
(6S)-2-Nitro-6-({5-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl}methoxy)-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 49851826
2-methyl-6-nitro-2-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]-3H-imidazo[2,1-b]oxazole
CID 49855247
2-[[4-(4-Fluorophenyl)phenoxy]methyl]-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
CID 50913041
2-[[6-(4-fluorophenyl)-3-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
CID 50913185
2-[[4-(4-fluorophenyl)phenoxy]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b]oxazole
CID 50913332
2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]pyridin-2-yl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 50913333

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 2-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole (CID 50913046) is 2-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole is CC1(COc2ccc(-c3ccc(F)cc3)cn2)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The InChIKey is CSLSSIUGFJHMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O4/c1-18(10-22-9-15(23(24)25)21-17(22)27-18)11-26-16-7-4-13(8-20-16)12-2-5-14(19)6-3-12/h2-9H,10-11H2,1H3.
What are the key properties of 2-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
2-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole 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 2-[[5-(4-fluorophenyl)-2-pyridinyl]oxymethyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 50913046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).