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

C14H12F3N3O5 — CID 50913480

IUPAC6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESO=[N+]([O-])c1cn2c(n1)OC(COCc1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-8-11-5-19-6-12(20(21)22)18-13(19)24-11/h1-4,6,11H,5,7-8H2
InChIKeyPVASYGHYWPVDDY-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.67
Rot. Bonds6

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

6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole (PubChem CID 50913480) has the molecular formula C14H12F3N3O5 and a molecular weight of 359.26 g/mol. Its IUPAC name is 6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole
PubChem CID50913480
Molecular FormulaC14H12F3N3O5
Molecular Weight359.26 g/mol
Exact Mass359.07
IUPAC Name6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole
SMILESO=[N+]([O-])c1cn2c(n1)OC(COCc1ccc(OC(F)(F)F)cc1)C2
InChIInChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-8-11-5-19-6-12(20(21)22)18-13(19)24-11/h1-4,6,11H,5,7-8H2
InChIKeyPVASYGHYWPVDDY-UHFFFAOYSA-N
XLogP2.67
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.67
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 6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole (CID 50913480) is 6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole is O=[N+]([O-])c1cn2c(n1)OC(COCc1ccc(OC(F)(F)F)cc1)C2.
What is the InChIKey of 6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
The InChIKey is PVASYGHYWPVDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-8-11-5-19-6-12(20(21)22)18-13(19)24-11/h1-4,6,11H,5,7-8H2.
What are the key properties of 6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole?
6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole has a molecular weight of 359.26 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-[[4-(trifluoromethoxy)phenyl]methoxymethyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 50913480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).