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

C10H8BrIN2O — CID 79556789

IUPAC5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine
SMILESCc1c(Br)cccc1-c1onc(N)c1I
InChIInChI=1S/C10H8BrIN2O/c1-5-6(3-2-4-7(5)11)9-8(12)10(13)14-15-9/h2-4H,1H3,(H2,13,14)
InChIKeyKNTKLRYYOGDQJX-UHFFFAOYSA-N
MW379.00 g/mol
LogP3.60
Rot. Bonds1

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

5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine (PubChem CID 79556789) has the molecular formula C10H8BrIN2O and a molecular weight of 379.00 g/mol. Its IUPAC name is 5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine
PubChem CID79556789
Molecular FormulaC10H8BrIN2O
Molecular Weight379.00 g/mol
Exact Mass377.89
IUPAC Name5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine
SMILESCc1c(Br)cccc1-c1onc(N)c1I
InChIInChI=1S/C10H8BrIN2O/c1-5-6(3-2-4-7(5)11)9-8(12)10(13)14-15-9/h2-4H,1H3,(H2,13,14)
InChIKeyKNTKLRYYOGDQJX-UHFFFAOYSA-N
XLogP3.60
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.00
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine (CID 79556789) is 5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine is Cc1c(Br)cccc1-c1onc(N)c1I.
What is the InChIKey of 5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine?
The InChIKey is KNTKLRYYOGDQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrIN2O/c1-5-6(3-2-4-7(5)11)9-8(12)10(13)14-15-9/h2-4H,1H3,(H2,13,14).
What are the key properties of 5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine?
5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine has a molecular weight of 379.00 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-methylphenyl)-4-iodo-1,2-oxazol-3-amine is sourced from PubChem (CID 79556789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).