(4-nitrophenyl) 4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate

C16H10F2N2O6 — CID 22048857

IUPAC(4-nitrophenyl) 4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESO=C1OCC(c2cc(F)cc(F)c2)N1C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H10F2N2O6/c17-10-5-9(6-11(18)7-10)14-8-25-15(21)19(14)16(22)26-13-3-1-12(2-4-13)20(23)24/h1-7,14H,8H2
InChIKeyCBYBTHLDUGDUKO-UHFFFAOYSA-N
MW364.26 g/mol
LogP3.57
Rot. Bonds3

About (4-nitrophenyl) 4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate

(4-nitrophenyl) 4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 22048857) has the molecular formula C16H10F2N2O6 and a molecular weight of 364.26 g/mol. Its IUPAC name is (4-nitrophenyl) 4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name(4-nitrophenyl) 4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID22048857
Molecular FormulaC16H10F2N2O6
Molecular Weight364.26 g/mol
Exact Mass364.05
IUPAC Name(4-nitrophenyl) 4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESO=C1OCC(c2cc(F)cc(F)c2)N1C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H10F2N2O6/c17-10-5-9(6-11(18)7-10)14-8-25-15(21)19(14)16(22)26-13-3-1-12(2-4-13)20(23)24/h1-7,14H,8H2
InChIKeyCBYBTHLDUGDUKO-UHFFFAOYSA-N
XLogP3.57
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (4-nitrophenyl) 4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of (4-nitrophenyl) 4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate (CID 22048857) is (4-nitrophenyl) 4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for (4-nitrophenyl) 4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for (4-nitrophenyl) 4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate is O=C1OCC(c2cc(F)cc(F)c2)N1C(=O)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) 4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is CBYBTHLDUGDUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O6/c17-10-5-9(6-11(18)7-10)14-8-25-15(21)19(14)16(22)26-13-3-1-12(2-4-13)20(23)24/h1-7,14H,8H2.
What are the key properties of (4-nitrophenyl) 4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
(4-nitrophenyl) 4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 364.26 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) 4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 22048857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).