5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine

C10H8FIN2O2 — CID 81284166

IUPAC5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine
SMILESCOc1cc(-c2onc(N)c2I)ccc1F
InChIInChI=1S/C10H8FIN2O2/c1-15-7-4-5(2-3-6(7)11)9-8(12)10(13)14-16-9/h2-4H,1H3,(H2,13,14)
InChIKeyNMKJRMLZUIGZAT-UHFFFAOYSA-N
MW334.09 g/mol
LogP2.68
Rot. Bonds2

About 5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine

5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine (PubChem CID 81284166) has the molecular formula C10H8FIN2O2 and a molecular weight of 334.09 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine
PubChem CID81284166
Molecular FormulaC10H8FIN2O2
Molecular Weight334.09 g/mol
Exact Mass333.96
IUPAC Name5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine
SMILESCOc1cc(-c2onc(N)c2I)ccc1F
InChIInChI=1S/C10H8FIN2O2/c1-15-7-4-5(2-3-6(7)11)9-8(12)10(13)14-16-9/h2-4H,1H3,(H2,13,14)
InChIKeyNMKJRMLZUIGZAT-UHFFFAOYSA-N
XLogP2.68
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.09
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine (CID 81284166) is 5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine is COc1cc(-c2onc(N)c2I)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine?
The InChIKey is NMKJRMLZUIGZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FIN2O2/c1-15-7-4-5(2-3-6(7)11)9-8(12)10(13)14-16-9/h2-4H,1H3,(H2,13,14).
What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine?
5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine has a molecular weight of 334.09 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methoxyphenyl)-4-iodo-1,2-oxazol-3-amine is sourced from PubChem (CID 81284166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).