4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole

C9H4F2INO — CID 45139288

IUPAC4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole
SMILESFc1cc(F)cc(-c2coc(I)n2)c1
InChIInChI=1S/C9H4F2INO/c10-6-1-5(2-7(11)3-6)8-4-14-9(12)13-8/h1-4H
InChIKeyMBYKVCMLBVDAJJ-UHFFFAOYSA-N
MW307.04 g/mol
LogP3.22
Rot. Bonds1

About 4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole

4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole (PubChem CID 45139288) has the molecular formula C9H4F2INO and a molecular weight of 307.04 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole
PubChem CID45139288
Molecular FormulaC9H4F2INO
Molecular Weight307.04 g/mol
Exact Mass306.93
IUPAC Name4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole
SMILESFc1cc(F)cc(-c2coc(I)n2)c1
InChIInChI=1S/C9H4F2INO/c10-6-1-5(2-7(11)3-6)8-4-14-9(12)13-8/h1-4H
InChIKeyMBYKVCMLBVDAJJ-UHFFFAOYSA-N
XLogP3.22
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.04
LogP ≤ 53.22
H-Bond Donors ≤ 50
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 4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole?
The IUPAC name of 4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole (CID 45139288) is 4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole.
What is the SMILES notation for 4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole?
The canonical SMILES for 4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole is Fc1cc(F)cc(-c2coc(I)n2)c1.
What is the InChIKey of 4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole?
The InChIKey is MBYKVCMLBVDAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F2INO/c10-6-1-5(2-7(11)3-6)8-4-14-9(12)13-8/h1-4H.
What are the key properties of 4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole?
4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole has a molecular weight of 307.04 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole is sourced from PubChem (CID 45139288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).