5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one

C16H10FIN2O3 — CID 46638792

IUPAC5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(I)cc1
InChIInChI=1S/C16H10FIN2O3/c17-12-5-1-11(2-6-12)15-19-20(16(22)23-15)9-14(21)10-3-7-13(18)8-4-10/h1-8H,9H2
InChIKeySUUGLXCNKDFTNK-UHFFFAOYSA-N
MW424.17 g/mol
LogP3.13
Rot. Bonds4

About 5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one (PubChem CID 46638792) has the molecular formula C16H10FIN2O3 and a molecular weight of 424.17 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one
PubChem CID46638792
Molecular FormulaC16H10FIN2O3
Molecular Weight424.17 g/mol
Exact Mass423.97
IUPAC Name5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(I)cc1
InChIInChI=1S/C16H10FIN2O3/c17-12-5-1-11(2-6-12)15-19-20(16(22)23-15)9-14(21)10-3-7-13(18)8-4-10/h1-8H,9H2
InChIKeySUUGLXCNKDFTNK-UHFFFAOYSA-N
XLogP3.13
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.17
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one (CID 46638792) is 5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(I)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one?
The InChIKey is SUUGLXCNKDFTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FIN2O3/c17-12-5-1-11(2-6-12)15-19-20(16(22)23-15)9-14(21)10-3-7-13(18)8-4-10/h1-8H,9H2.
What are the key properties of 5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one has a molecular weight of 424.17 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 46638792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).