6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one

C12H9FN2O5 — CID 69319666

IUPAC6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SMILESO=C1OCC2=CC(Oc3cc(F)cc([N+](=O)[O-])c3)CN12
InChIInChI=1S/C12H9FN2O5/c13-7-1-8(15(17)18)3-10(2-7)20-11-4-9-6-19-12(16)14(9)5-11/h1-4,11H,5-6H2
InChIKeyQDJPSRVSMKLWHD-UHFFFAOYSA-N
MW280.21 g/mol
LogP1.83
Rot. Bonds3

About 6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one

6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one (PubChem CID 69319666) has the molecular formula C12H9FN2O5 and a molecular weight of 280.21 g/mol. Its IUPAC name is 6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one.

Molecular Properties

Compound Name6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
PubChem CID69319666
Molecular FormulaC12H9FN2O5
Molecular Weight280.21 g/mol
Exact Mass280.05
IUPAC Name6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SMILESO=C1OCC2=CC(Oc3cc(F)cc([N+](=O)[O-])c3)CN12
InChIInChI=1S/C12H9FN2O5/c13-7-1-8(15(17)18)3-10(2-7)20-11-4-9-6-19-12(16)14(9)5-11/h1-4,11H,5-6H2
InChIKeyQDJPSRVSMKLWHD-UHFFFAOYSA-N
XLogP1.83
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one 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

(6R)-6-(3-fluoro-5-nitrophenoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 68983256
3-(3-fluoro-5-nitrophenoxy)cyclopentan-1-amine
CID 79465301
(3R)-3-(3-fluoro-5-nitrophenoxy)phospholane
CID 71215607
1-fluoro-3-(2-methylcyclohexyl)oxy-5-nitrobenzene
CID 80752281
1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene
CID 80752883
[(2R,4S)-4-(3-fluoro-5-nitrophenoxy)pyrrolidin-2-yl]methanol
CID 68984308
(3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium
CID 175445646
1-(3,5-dimethoxyphenoxy)-3-fluoro-5-nitrobenzene
CID 80752219
1-fluoro-3-nitro-5-(2,2,2-trifluoroethoxy)benzene
CID 80753207
2-[(2R,4R)-4-(3-fluoro-5-nitrophenoxy)pyrrolidin-2-yl]ethanol
CID 142926578
(3,5-dinitrophenyl) cyanate
CID 143526449
3-nitro-5-(oxetan-3-yloxy)aniline
CID 102608859

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The IUPAC name of 6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one (CID 69319666) is 6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one.
What is the SMILES notation for 6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The canonical SMILES for 6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one is O=C1OCC2=CC(Oc3cc(F)cc([N+](=O)[O-])c3)CN12.
What is the InChIKey of 6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The InChIKey is QDJPSRVSMKLWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O5/c13-7-1-8(15(17)18)3-10(2-7)20-11-4-9-6-19-12(16)14(9)5-11/h1-4,11H,5-6H2.
What are the key properties of 6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one has a molecular weight of 280.21 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one is sourced from PubChem (CID 69319666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).