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

C10H7FINO — CID 102974766

IUPAC5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole
SMILESCc1nc(I)oc1-c1cccc(F)c1
InChIInChI=1S/C10H7FINO/c1-6-9(14-10(12)13-6)7-3-2-4-8(11)5-7/h2-5H,1H3
InChIKeyQDQLZAZIVSUMAI-UHFFFAOYSA-N
MW303.07 g/mol
LogP3.39
Rot. Bonds1

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

5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole (PubChem CID 102974766) has the molecular formula C10H7FINO and a molecular weight of 303.07 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole
PubChem CID102974766
Molecular FormulaC10H7FINO
Molecular Weight303.07 g/mol
Exact Mass302.96
IUPAC Name5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole
SMILESCc1nc(I)oc1-c1cccc(F)c1
InChIInChI=1S/C10H7FINO/c1-6-9(14-10(12)13-6)7-3-2-4-8(11)5-7/h2-5H,1H3
InChIKeyQDQLZAZIVSUMAI-UHFFFAOYSA-N
XLogP3.39
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.07
LogP ≤ 53.39
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 5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole?
The IUPAC name of 5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole (CID 102974766) is 5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole?
The canonical SMILES for 5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole is Cc1nc(I)oc1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole?
The InChIKey is QDQLZAZIVSUMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FINO/c1-6-9(14-10(12)13-6)7-3-2-4-8(11)5-7/h2-5H,1H3.
What are the key properties of 5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole?
5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole has a molecular weight of 303.07 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-iodo-4-methyl-1,3-oxazole is sourced from PubChem (CID 102974766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).