N-iodo-3-methyl-1,2-oxazol-5-amine

C4H5IN2O — CID 88565628

IUPACN-iodo-3-methyl-1,2-oxazol-5-amine
SMILESCc1cc(NI)on1
InChIInChI=1S/C4H5IN2O/c1-3-2-4(6-5)8-7-3/h2,6H,1H3
InChIKeyHPIJFBJXNVHMNJ-UHFFFAOYSA-N
MW224.00 g/mol
LogP1.74
Rot. Bonds1

About N-iodo-3-methyl-1,2-oxazol-5-amine

N-iodo-3-methyl-1,2-oxazol-5-amine (PubChem CID 88565628) has the molecular formula C4H5IN2O and a molecular weight of 224.00 g/mol. Its IUPAC name is N-iodo-3-methyl-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-iodo-3-methyl-1,2-oxazol-5-amine
PubChem CID88565628
Molecular FormulaC4H5IN2O
Molecular Weight224.00 g/mol
Exact Mass223.94
IUPAC NameN-iodo-3-methyl-1,2-oxazol-5-amine
SMILESCc1cc(NI)on1
InChIInChI=1S/C4H5IN2O/c1-3-2-4(6-5)8-7-3/h2,6H,1H3
InChIKeyHPIJFBJXNVHMNJ-UHFFFAOYSA-N
XLogP1.74
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.00
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-3-methyl-1,2-oxazol-5-amine?
The IUPAC name of N-iodo-3-methyl-1,2-oxazol-5-amine (CID 88565628) is N-iodo-3-methyl-1,2-oxazol-5-amine.
What is the SMILES notation for N-iodo-3-methyl-1,2-oxazol-5-amine?
The canonical SMILES for N-iodo-3-methyl-1,2-oxazol-5-amine is Cc1cc(NI)on1.
What is the InChIKey of N-iodo-3-methyl-1,2-oxazol-5-amine?
The InChIKey is HPIJFBJXNVHMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN2O/c1-3-2-4(6-5)8-7-3/h2,6H,1H3.
What are the key properties of N-iodo-3-methyl-1,2-oxazol-5-amine?
N-iodo-3-methyl-1,2-oxazol-5-amine has a molecular weight of 224.00 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-3-methyl-1,2-oxazol-5-amine is sourced from PubChem (CID 88565628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).