1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone

C10H7F4NO2 — CID 113375603

IUPAC1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1F)N1CCCO1
InChIInChI=1S/C10H7F4NO2/c11-6-4-5(7(12)9(14)8(6)13)10(16)15-2-1-3-17-15/h4H,1-3H2
InChIKeyKGSFLROUJHLNTG-UHFFFAOYSA-N
MW249.16 g/mol
LogP2.02
Rot. Bonds1

About 1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone

1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone (PubChem CID 113375603) has the molecular formula C10H7F4NO2 and a molecular weight of 249.16 g/mol. Its IUPAC name is 1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone.

Molecular Properties

Compound Name1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone
PubChem CID113375603
Molecular FormulaC10H7F4NO2
Molecular Weight249.16 g/mol
Exact Mass249.04
IUPAC Name1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1F)N1CCCO1
InChIInChI=1S/C10H7F4NO2/c11-6-4-5(7(12)9(14)8(6)13)10(16)15-2-1-3-17-15/h4H,1-3H2
InChIKeyKGSFLROUJHLNTG-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone 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

(2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone
CID 113375740
2,3,4,5-tetrafluorobenzoic acid;tetrahydrofluoride
CID 175062708
(2-fluoro-3-pyridinyl)-(1,2-oxazolidin-2-yl)methanone
CID 107358931
(3-bromo-2-fluorophenyl)-(oxazinan-2-yl)methanone
CID 106547689
(2-fluoro-6-hydroxyphenyl)-(1,2-oxazolidin-2-yl)methanone
CID 99585349
(5-fluoro-3-pyridinyl)-(1,2-oxazolidin-2-yl)methanone
CID 104786126
(3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone
CID 104671096
5-(2,3,4,5-tetrafluorobenzoyl)-5-azaspiro[3.5]nonan-8-one
CID 126837198
(4-hydroxy-1,2-oxazolidin-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 112736689
4-methyl-1-(2,3,4,5-tetrafluorobenzoyl)-1,4-diazepan-5-one
CID 126825028
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone
CID 55065222
morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 61226112

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone?
The IUPAC name of 1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone (CID 113375603) is 1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone.
What is the SMILES notation for 1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone?
The canonical SMILES for 1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone is O=C(c1cc(F)c(F)c(F)c1F)N1CCCO1.
What is the InChIKey of 1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone?
The InChIKey is KGSFLROUJHLNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4NO2/c11-6-4-5(7(12)9(14)8(6)13)10(16)15-2-1-3-17-15/h4H,1-3H2.
What are the key properties of 1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone?
1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone has a molecular weight of 249.16 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone is sourced from PubChem (CID 113375603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).