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

C13H11F3N4O4 — CID 127031304

IUPAC2-methyl-6-nitro-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
SMILESCC1(COc2ccc(C(F)(F)F)nc2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C13H11F3N4O4/c1-12(6-19-5-10(20(21)22)18-11(19)24-12)7-23-8-2-3-9(17-4-8)13(14,15)16/h2-5H,6-7H2,1H3
InChIKeyAYKXKCUKZDPGIS-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.44
Rot. Bonds4

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

2-methyl-6-nitro-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole (PubChem CID 127031304) has the molecular formula C13H11F3N4O4 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-methyl-6-nitro-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name2-methyl-6-nitro-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
PubChem CID127031304
Molecular FormulaC13H11F3N4O4
Molecular Weight344.25 g/mol
Exact Mass344.07
IUPAC Name2-methyl-6-nitro-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
SMILESCC1(COc2ccc(C(F)(F)F)nc2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C13H11F3N4O4/c1-12(6-19-5-10(20(21)22)18-11(19)24-12)7-23-8-2-3-9(17-4-8)13(14,15)16/h2-5H,6-7H2,1H3
InChIKeyAYKXKCUKZDPGIS-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-methyl-6-nitro-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 2-methyl-6-nitro-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole (CID 127031304) is 2-methyl-6-nitro-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 2-methyl-6-nitro-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 2-methyl-6-nitro-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole is CC1(COc2ccc(C(F)(F)F)nc2)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 2-methyl-6-nitro-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole?
The InChIKey is AYKXKCUKZDPGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O4/c1-12(6-19-5-10(20(21)22)18-11(19)24-12)7-23-8-2-3-9(17-4-8)13(14,15)16/h2-5H,6-7H2,1H3.
What are the key properties of 2-methyl-6-nitro-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole?
2-methyl-6-nitro-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole 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-methyl-6-nitro-2-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 127031304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).