2-iodo-5-propan-2-yl-1,3-oxazole

C6H8INO — CID 102974765

IUPAC2-iodo-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1cnc(I)o1
InChIInChI=1S/C6H8INO/c1-4(2)5-3-8-6(7)9-5/h3-4H,1-2H3
InChIKeyRKCVTTYCVVGGCC-UHFFFAOYSA-N
MW237.04 g/mol
LogP2.40
Rot. Bonds1

About 2-iodo-5-propan-2-yl-1,3-oxazole

2-iodo-5-propan-2-yl-1,3-oxazole (PubChem CID 102974765) has the molecular formula C6H8INO and a molecular weight of 237.04 g/mol. Its IUPAC name is 2-iodo-5-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-iodo-5-propan-2-yl-1,3-oxazole
PubChem CID102974765
Molecular FormulaC6H8INO
Molecular Weight237.04 g/mol
Exact Mass236.97
IUPAC Name2-iodo-5-propan-2-yl-1,3-oxazole
SMILESCC(C)c1cnc(I)o1
InChIInChI=1S/C6H8INO/c1-4(2)5-3-8-6(7)9-5/h3-4H,1-2H3
InChIKeyRKCVTTYCVVGGCC-UHFFFAOYSA-N
XLogP2.40
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-propan-2-yl-1,3-oxazole?
The IUPAC name of 2-iodo-5-propan-2-yl-1,3-oxazole (CID 102974765) is 2-iodo-5-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 2-iodo-5-propan-2-yl-1,3-oxazole?
The canonical SMILES for 2-iodo-5-propan-2-yl-1,3-oxazole is CC(C)c1cnc(I)o1.
What is the InChIKey of 2-iodo-5-propan-2-yl-1,3-oxazole?
The InChIKey is RKCVTTYCVVGGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8INO/c1-4(2)5-3-8-6(7)9-5/h3-4H,1-2H3.
What are the key properties of 2-iodo-5-propan-2-yl-1,3-oxazole?
2-iodo-5-propan-2-yl-1,3-oxazole has a molecular weight of 237.04 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 102974765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).