3-iodo-1,2-oxazole

C3H2INO — CID 69119915

IUPAC3-iodo-1,2-oxazole
SMILESIc1ccon1
InChIInChI=1S/C3H2INO/c4-3-1-2-6-5-3/h1-2H
InChIKeySEEXEASCHDPBSJ-UHFFFAOYSA-N
MW194.96 g/mol
LogP1.28
Rot. Bonds

About 3-iodo-1,2-oxazole

3-iodo-1,2-oxazole (PubChem CID 69119915) has the molecular formula C3H2INO and a molecular weight of 194.96 g/mol. Its IUPAC name is 3-iodo-1,2-oxazole.

Molecular Properties

Compound Name3-iodo-1,2-oxazole
PubChem CID69119915
Molecular FormulaC3H2INO
Molecular Weight194.96 g/mol
Exact Mass194.92
IUPAC Name3-iodo-1,2-oxazole
SMILESIc1ccon1
InChIInChI=1S/C3H2INO/c4-3-1-2-6-5-3/h1-2H
InChIKeySEEXEASCHDPBSJ-UHFFFAOYSA-N
XLogP1.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.96
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Isoxazole
CID 9254
3-Chloro-1,2-oxazole
CID 12475721
3-Bromo-1,2-oxazole
CID 13933891
Fluoroisoxazole
CID 68209726
3-Nitroisoxazole
CID 13009112
Tributylstannyl isoxazole
CID 19028446
4-Deuteroisoxazole
CID 23278574
Nitrosoisoxazole
CID 129798591
Silyl isoxazole
CID 22121125
Stannylisoxazole
CID 129794262
Isoxazolylsilanol
CID 129859590
1,2-Oxazol-3-olate
CID 20698734

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1,2-oxazole?
The IUPAC name of 3-iodo-1,2-oxazole (CID 69119915) is 3-iodo-1,2-oxazole.
What is the SMILES notation for 3-iodo-1,2-oxazole?
The canonical SMILES for 3-iodo-1,2-oxazole is Ic1ccon1.
What is the InChIKey of 3-iodo-1,2-oxazole?
The InChIKey is SEEXEASCHDPBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2INO/c4-3-1-2-6-5-3/h1-2H.
What are the key properties of 3-iodo-1,2-oxazole?
3-iodo-1,2-oxazole has a molecular weight of 194.96 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,2-oxazole is sourced from PubChem (CID 69119915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).