5-butyl-4-iodo-1,2-oxazol-3-amine

C7H11IN2O — CID 79556943

IUPAC5-butyl-4-iodo-1,2-oxazol-3-amine
SMILESCCCCc1onc(N)c1I
InChIInChI=1S/C7H11IN2O/c1-2-3-4-5-6(8)7(9)10-11-5/h2-4H2,1H3,(H2,9,10)
InChIKeyDFLIIKRPXNPZQQ-UHFFFAOYSA-N
MW266.08 g/mol
LogP2.20
Rot. Bonds3

About 5-butyl-4-iodo-1,2-oxazol-3-amine

5-butyl-4-iodo-1,2-oxazol-3-amine (PubChem CID 79556943) has the molecular formula C7H11IN2O and a molecular weight of 266.08 g/mol. Its IUPAC name is 5-butyl-4-iodo-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-butyl-4-iodo-1,2-oxazol-3-amine
PubChem CID79556943
Molecular FormulaC7H11IN2O
Molecular Weight266.08 g/mol
Exact Mass265.99
IUPAC Name5-butyl-4-iodo-1,2-oxazol-3-amine
SMILESCCCCc1onc(N)c1I
InChIInChI=1S/C7H11IN2O/c1-2-3-4-5-6(8)7(9)10-11-5/h2-4H2,1H3,(H2,9,10)
InChIKeyDFLIIKRPXNPZQQ-UHFFFAOYSA-N
XLogP2.20
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.20
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-butyl-4-iodo-1,2-oxazol-3-amine?
The IUPAC name of 5-butyl-4-iodo-1,2-oxazol-3-amine (CID 79556943) is 5-butyl-4-iodo-1,2-oxazol-3-amine.
What is the SMILES notation for 5-butyl-4-iodo-1,2-oxazol-3-amine?
The canonical SMILES for 5-butyl-4-iodo-1,2-oxazol-3-amine is CCCCc1onc(N)c1I.
What is the InChIKey of 5-butyl-4-iodo-1,2-oxazol-3-amine?
The InChIKey is DFLIIKRPXNPZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2O/c1-2-3-4-5-6(8)7(9)10-11-5/h2-4H2,1H3,(H2,9,10).
What are the key properties of 5-butyl-4-iodo-1,2-oxazol-3-amine?
5-butyl-4-iodo-1,2-oxazol-3-amine has a molecular weight of 266.08 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-iodo-1,2-oxazol-3-amine is sourced from PubChem (CID 79556943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).