2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole

C15H14F3N3O5 — CID 50913481

IUPAC2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
SMILESCC1(COCc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C15H14F3N3O5/c1-14(8-20-6-12(21(22)23)19-13(20)26-14)9-24-7-10-2-4-11(5-3-10)25-15(16,17)18/h2-6H,7-9H2,1H3
InChIKeyGOANHVTUFFCYDW-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.06
Rot. Bonds6

About 2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole

2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole (PubChem CID 50913481) has the molecular formula C15H14F3N3O5 and a molecular weight of 373.29 g/mol. Its IUPAC name is 2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
PubChem CID50913481
Molecular FormulaC15H14F3N3O5
Molecular Weight373.29 g/mol
Exact Mass373.09
IUPAC Name2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
SMILESCC1(COCc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C15H14F3N3O5/c1-14(8-20-6-12(21(22)23)19-13(20)26-14)9-24-7-10-2-4-11(5-3-10)25-15(16,17)18/h2-6H,7-9H2,1H3
InChIKeyGOANHVTUFFCYDW-UHFFFAOYSA-N
XLogP3.06
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.06
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-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole (CID 50913481) is 2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole is CC1(COCc2ccc(OC(F)(F)F)cc2)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole?
The InChIKey is GOANHVTUFFCYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O5/c1-14(8-20-6-12(21(22)23)19-13(20)26-14)9-24-7-10-2-4-11(5-3-10)25-15(16,17)18/h2-6H,7-9H2,1H3.
What are the key properties of 2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole?
2-methyl-6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole has a molecular weight of 373.29 g/mol, XLogP of 3.06, 6 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-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 50913481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).