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

C7H7IN4O — CID 130654124

IUPAC5-(5-iodo-1-methylpyrazol-4-yl)-1,2-oxazol-3-amine
SMILESCn1ncc(-c2cc(N)no2)c1I
InChIInChI=1S/C7H7IN4O/c1-12-7(8)4(3-10-12)5-2-6(9)11-13-5/h2-3H,1H3,(H2,9,11)
InChIKeyOXFKPQPZQCTMGJ-UHFFFAOYSA-N
MW290.06 g/mol
LogP1.26
Rot. Bonds1

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

5-(5-iodo-1-methylpyrazol-4-yl)-1,2-oxazol-3-amine (PubChem CID 130654124) has the molecular formula C7H7IN4O and a molecular weight of 290.06 g/mol. Its IUPAC name is 5-(5-iodo-1-methylpyrazol-4-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-iodo-1-methylpyrazol-4-yl)-1,2-oxazol-3-amine
PubChem CID130654124
Molecular FormulaC7H7IN4O
Molecular Weight290.06 g/mol
Exact Mass289.97
IUPAC Name5-(5-iodo-1-methylpyrazol-4-yl)-1,2-oxazol-3-amine
SMILESCn1ncc(-c2cc(N)no2)c1I
InChIInChI=1S/C7H7IN4O/c1-12-7(8)4(3-10-12)5-2-6(9)11-13-5/h2-3H,1H3,(H2,9,11)
InChIKeyOXFKPQPZQCTMGJ-UHFFFAOYSA-N
XLogP1.26
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.06
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-iodo-1-methylpyrazol-4-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-iodo-1-methylpyrazol-4-yl)-1,2-oxazol-3-amine (CID 130654124) is 5-(5-iodo-1-methylpyrazol-4-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-iodo-1-methylpyrazol-4-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-iodo-1-methylpyrazol-4-yl)-1,2-oxazol-3-amine is Cn1ncc(-c2cc(N)no2)c1I.
What is the InChIKey of 5-(5-iodo-1-methylpyrazol-4-yl)-1,2-oxazol-3-amine?
The InChIKey is OXFKPQPZQCTMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN4O/c1-12-7(8)4(3-10-12)5-2-6(9)11-13-5/h2-3H,1H3,(H2,9,11).
What are the key properties of 5-(5-iodo-1-methylpyrazol-4-yl)-1,2-oxazol-3-amine?
5-(5-iodo-1-methylpyrazol-4-yl)-1,2-oxazol-3-amine has a molecular weight of 290.06 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-iodo-1-methylpyrazol-4-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 130654124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).