5-(4-fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole

C15H11FINO — CID 57249872

IUPAC5-(4-fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2C=C(c3cccc(I)c3)NO2)cc1
InChIInChI=1S/C15H11FINO/c16-12-6-4-10(5-7-12)15-9-14(18-19-15)11-2-1-3-13(17)8-11/h1-9,15,18H
InChIKeyKEAVBESDNDLZAU-UHFFFAOYSA-N
MW367.16 g/mol
LogP4.05
Rot. Bonds2

About 5-(4-fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole

5-(4-fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 57249872) has the molecular formula C15H11FINO and a molecular weight of 367.16 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole
PubChem CID57249872
Molecular FormulaC15H11FINO
Molecular Weight367.16 g/mol
Exact Mass366.99
IUPAC Name5-(4-fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2C=C(c3cccc(I)c3)NO2)cc1
InChIInChI=1S/C15H11FINO/c16-12-6-4-10(5-7-12)15-9-14(18-19-15)11-2-1-3-13(17)8-11/h1-9,15,18H
InChIKeyKEAVBESDNDLZAU-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole (CID 57249872) is 5-(4-fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole is Fc1ccc(C2C=C(c3cccc(I)c3)NO2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is KEAVBESDNDLZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FINO/c16-12-6-4-10(5-7-12)15-9-14(18-19-15)11-2-1-3-13(17)8-11/h1-9,15,18H.
What are the key properties of 5-(4-fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole?
5-(4-fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 367.16 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57249872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).