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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 79556130
4,6-dichloro-2-(4-fluoro-3-methoxyphenyl)-5-iodopyrimidine
CID 107922643
5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79555471
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine
CID 79556464
5-(4-fluoronaphthalen-1-yl)-4-iodo-1,2-oxazol-3-amine
CID 114088309
5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79556783
5-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 107922497
2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
CID 107922532
2-[4-(4-fluoro-3-methoxyphenyl)-1,2,5-oxadiazol-3-yl]ethanamine
CID 96594021
1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene
CID 134623746
methyl 5-(4-fluoro-3-methoxyphenyl)-3-nitro-1,2-oxazole-4-carboxylate
CID 131954454

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).