5-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine

C7H4BrIN2OS — CID 107967222

IUPAC5-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(-c2csc(Br)c2)c1I
InChIInChI=1S/C7H4BrIN2OS/c8-4-1-3(2-13-4)6-5(9)7(10)11-12-6/h1-2H,(H2,10,11)
InChIKeyUKRZBQPHOKLGKD-UHFFFAOYSA-N
MW371.00 g/mol
LogP3.35
Rot. Bonds1

About 5-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine

5-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine (PubChem CID 107967222) has the molecular formula C7H4BrIN2OS and a molecular weight of 371.00 g/mol. Its IUPAC name is 5-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine
PubChem CID107967222
Molecular FormulaC7H4BrIN2OS
Molecular Weight371.00 g/mol
Exact Mass369.83
IUPAC Name5-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(-c2csc(Br)c2)c1I
InChIInChI=1S/C7H4BrIN2OS/c8-4-1-3(2-13-4)6-5(9)7(10)11-12-6/h1-2H,(H2,10,11)
InChIKeyUKRZBQPHOKLGKD-UHFFFAOYSA-N
XLogP3.35
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.00
LogP ≤ 53.35
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-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine (CID 107967222) is 5-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine is Nc1noc(-c2csc(Br)c2)c1I.
What is the InChIKey of 5-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine?
The InChIKey is UKRZBQPHOKLGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrIN2OS/c8-4-1-3(2-13-4)6-5(9)7(10)11-12-6/h1-2H,(H2,10,11).
What are the key properties of 5-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine?
5-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine has a molecular weight of 371.00 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-3-yl)-4-iodo-1,2-oxazol-3-amine is sourced from PubChem (CID 107967222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).