5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine

C9H5BrFIN2O — CID 114561338

IUPAC5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(-c2c(F)cccc2Br)c1I
InChIInChI=1S/C9H5BrFIN2O/c10-4-2-1-3-5(11)6(4)8-7(12)9(13)14-15-8/h1-3H,(H2,13,14)
InChIKeyHVKPOWRDKQMQKY-UHFFFAOYSA-N
MW382.96 g/mol
LogP3.43
Rot. Bonds1

About 5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine

5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine (PubChem CID 114561338) has the molecular formula C9H5BrFIN2O and a molecular weight of 382.96 g/mol. Its IUPAC name is 5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
PubChem CID114561338
Molecular FormulaC9H5BrFIN2O
Molecular Weight382.96 g/mol
Exact Mass381.86
IUPAC Name5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(-c2c(F)cccc2Br)c1I
InChIInChI=1S/C9H5BrFIN2O/c10-4-2-1-3-5(11)6(4)8-7(12)9(13)14-15-8/h1-3H,(H2,13,14)
InChIKeyHVKPOWRDKQMQKY-UHFFFAOYSA-N
XLogP3.43
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.96
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(2-bromo-6-fluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 114561326
5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine
CID 79556789
4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine
CID 66203992
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
4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine
CID 66200850
4-iodo-5-(2,4,6-trimethylphenyl)-1,2-oxazol-3-amine
CID 79556137
5-(4-chloro-2-fluorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79555471
4-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 62828603
4-iodo-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 79556130
5-(5-bromofuran-2-yl)-4-iodo-1,2-oxazol-3-amine
CID 79557285
4-iodo-5-(3-iodophenyl)-1,2-oxazol-3-amine
CID 79556464

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine (CID 114561338) is 5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine is Nc1noc(-c2c(F)cccc2Br)c1I.
What is the InChIKey of 5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine?
The InChIKey is HVKPOWRDKQMQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFIN2O/c10-4-2-1-3-5(11)6(4)8-7(12)9(13)14-15-8/h1-3H,(H2,13,14).
What are the key properties of 5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine?
5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine has a molecular weight of 382.96 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-6-fluorophenyl)-4-iodo-1,2-oxazol-3-amine is sourced from PubChem (CID 114561338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).