methyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate

C11H7FN2O5 — CID 122207393

IUPACmethyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c([N+](=O)[O-])noc1-c1ccccc1F
InChIInChI=1S/C11H7FN2O5/c1-18-11(15)8-9(19-13-10(8)14(16)17)6-4-2-3-5-7(6)12/h2-5H,1H3
InChIKeyNIEFGSPQQZJLJR-UHFFFAOYSA-N
MW266.18 g/mol
LogP2.18
Rot. Bonds3

About methyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate

methyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate (PubChem CID 122207393) has the molecular formula C11H7FN2O5 and a molecular weight of 266.18 g/mol. Its IUPAC name is methyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate
PubChem CID122207393
Molecular FormulaC11H7FN2O5
Molecular Weight266.18 g/mol
Exact Mass266.03
IUPAC Namemethyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c([N+](=O)[O-])noc1-c1ccccc1F
InChIInChI=1S/C11H7FN2O5/c1-18-11(15)8-9(19-13-10(8)14(16)17)6-4-2-3-5-7(6)12/h2-5H,1H3
InChIKeyNIEFGSPQQZJLJR-UHFFFAOYSA-N
XLogP2.18
TPSA95.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 52.18
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 methyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate (CID 122207393) is methyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate is COC(=O)c1c([N+](=O)[O-])noc1-c1ccccc1F.
What is the InChIKey of methyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate?
The InChIKey is NIEFGSPQQZJLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O5/c1-18-11(15)8-9(19-13-10(8)14(16)17)6-4-2-3-5-7(6)12/h2-5H,1H3.
What are the key properties of methyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate?
methyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate has a molecular weight of 266.18 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-fluorophenyl)-3-nitro-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 122207393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).