(2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone

C10H8F2N2O4 — CID 113375740

IUPAC(2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone
SMILESO=C(c1cc([N+](=O)[O-])c(F)cc1F)N1CCCO1
InChIInChI=1S/C10H8F2N2O4/c11-7-5-8(12)9(14(16)17)4-6(7)10(15)13-2-1-3-18-13/h4-5H,1-3H2
InChIKeyZHVGLVZTXLUKOW-UHFFFAOYSA-N
MW258.18 g/mol
LogP1.65
Rot. Bonds2

About (2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone

(2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone (PubChem CID 113375740) has the molecular formula C10H8F2N2O4 and a molecular weight of 258.18 g/mol. Its IUPAC name is (2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name(2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone
PubChem CID113375740
Molecular FormulaC10H8F2N2O4
Molecular Weight258.18 g/mol
Exact Mass258.05
IUPAC Name(2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone
SMILESO=C(c1cc([N+](=O)[O-])c(F)cc1F)N1CCCO1
InChIInChI=1S/C10H8F2N2O4/c11-7-5-8(12)9(14(16)17)4-6(7)10(15)13-2-1-3-18-13/h4-5H,1-3H2
InChIKeyZHVGLVZTXLUKOW-UHFFFAOYSA-N
XLogP1.65
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

1,2-oxazolidin-2-yl-(2,3,4,5-tetrafluorophenyl)methanone
CID 113375603
(2,4-difluoro-5-nitrophenyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403581
(2S)-1-(2,4-difluoro-5-nitrobenzoyl)pyrrolidine-2-carboxylic acid
CID 61137837
(2,5-difluoro-4-nitrophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 104699339
(2,5-difluoro-4-nitrophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668656
4-(2,4-difluoro-5-nitrobenzoyl)-1,4-diazepan-2-one
CID 65361597
(2,5-difluoro-4-nitrophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 115772345
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2,5-difluoro-4-nitrophenyl)methanone
CID 104699471
4-amino-2,5-difluorobenzoic acid;2,5-difluoro-4-nitrobenzoic acid
CID 158896033
iodo 2,4-difluoro-5-nitrobenzoate
CID 143303840
(2,5-difluoro-4-nitrophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 104699277
(2,5-difluoro-4-nitrophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 104699268

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of (2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone (CID 113375740) is (2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for (2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for (2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone is O=C(c1cc([N+](=O)[O-])c(F)cc1F)N1CCCO1.
What is the InChIKey of (2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is ZHVGLVZTXLUKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O4/c11-7-5-8(12)9(14(16)17)4-6(7)10(15)13-2-1-3-18-13/h4-5H,1-3H2.
What are the key properties of (2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone?
(2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 258.18 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-nitrophenyl)-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 113375740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).