2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol

C8H10FN3O5 — CID 56671599

IUPAC2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
SMILESO=[N+]([O-])c1nccn1C1OC(CF)C(O)C1O
InChIInChI=1S/C8H10FN3O5/c9-3-4-5(13)6(14)7(17-4)11-2-1-10-8(11)12(15)16/h1-2,4-7,13-14H,3H2
InChIKeyLPZSRGRDVVGMMX-UHFFFAOYSA-N
MW247.18 g/mol
LogP-0.62
Rot. Bonds3

About 2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol

2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol (PubChem CID 56671599) has the molecular formula C8H10FN3O5 and a molecular weight of 247.18 g/mol. Its IUPAC name is 2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
PubChem CID56671599
Molecular FormulaC8H10FN3O5
Molecular Weight247.18 g/mol
Exact Mass247.06
IUPAC Name2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol
SMILESO=[N+]([O-])c1nccn1C1OC(CF)C(O)C1O
InChIInChI=1S/C8H10FN3O5/c9-3-4-5(13)6(14)7(17-4)11-2-1-10-8(11)12(15)16/h1-2,4-7,13-14H,3H2
InChIKeyLPZSRGRDVVGMMX-UHFFFAOYSA-N
XLogP-0.62
TPSA110.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
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-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Misonidazole
CID 26105
Desmethylmisonidazole
CID 26106
Doranidazole
CID 164486
5-Aminoimidazole Ribonucleoside
CID 448820
Fluoroazomycin Arabinoside F-18
CID 2826728
Fluoroazomycin arabinoside
CID 10083297
1-(2-OH-3-Etopr)-2-NO2 imidazole
CID 106665
Iodoazomycin arabinoside
CID 126382
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-nitroimidazol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 44564378
(2R)-1-methoxy-3-(2-nitro-1H-imidazol-1-yl)propan-2-ol
CID 180625
1-(BD-Glucopyranosyl)-2-NO2imidazole
CID 23275164
2-Nitro-1-beta-D-ribofuranosyl-1H-imidazole
CID 87043

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol?
The IUPAC name of 2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol (CID 56671599) is 2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol.
What is the SMILES notation for 2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol?
The canonical SMILES for 2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol is O=[N+]([O-])c1nccn1C1OC(CF)C(O)C1O.
What is the InChIKey of 2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol?
The InChIKey is LPZSRGRDVVGMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O5/c9-3-4-5(13)6(14)7(17-4)11-2-1-10-8(11)12(15)16/h1-2,4-7,13-14H,3H2.
What are the key properties of 2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol?
2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol has a molecular weight of 247.18 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-5-(2-nitroimidazol-1-yl)oxolane-3,4-diol is sourced from PubChem (CID 56671599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).