6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine

C9H9IN2O — CID 163506521

IUPAC6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine
SMILESCC(C)(I)c1cc2ocnc2cn1
InChIInChI=1S/C9H9IN2O/c1-9(2,10)8-3-7-6(4-11-8)12-5-13-7/h3-5H,1-2H3
InChIKeyCZABUWQWEWVKTL-UHFFFAOYSA-N
MW288.09 g/mol
LogP2.89
Rot. Bonds1

About 6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine

6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 163506521) has the molecular formula C9H9IN2O and a molecular weight of 288.09 g/mol. Its IUPAC name is 6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine
PubChem CID163506521
Molecular FormulaC9H9IN2O
Molecular Weight288.09 g/mol
Exact Mass287.98
IUPAC Name6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine
SMILESCC(C)(I)c1cc2ocnc2cn1
InChIInChI=1S/C9H9IN2O/c1-9(2,10)8-3-7-6(4-11-8)12-5-13-7/h3-5H,1-2H3
InChIKeyCZABUWQWEWVKTL-UHFFFAOYSA-N
XLogP2.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.09
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2,2-dimethylpropyl)-1,3-benzoxazole
CID 59139810
6-tert-butyl-2-(2-iodopropan-2-yl)quinoxaline
CID 134414962
ethane;6-methyl-[1,3]oxazolo[5,4-c]pyridine
CID 171095472
hydrazine;6-methyl-1,3-benzoxazole
CID 174445357
6-propan-2-yl-1,3-benzoxazole
CID 21354846
6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole
CID 116841453
1,3-benzoxazol-6-amine
CID 584120
CID 70416438
CID 70416438
N-(pyrimidin-5-ylmethyl)-1,3-benzoxazol-6-amine
CID 174726564
5-chloro-6-fluoro-1,3-benzoxazole
CID 91514381
4-amino-N-(1,3-benzoxazol-6-yl)-2,2-dimethylbutanamide
CID 115156904
3-amino-1-(1,3-benzoxazol-6-yl)-3-methylbutan-1-one
CID 116915763

Frequently Asked Questions

What is the IUPAC name of 6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine (CID 163506521) is 6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine is CC(C)(I)c1cc2ocnc2cn1.
What is the InChIKey of 6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is CZABUWQWEWVKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2O/c1-9(2,10)8-3-7-6(4-11-8)12-5-13-7/h3-5H,1-2H3.
What are the key properties of 6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine?
6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 288.09 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-iodopropan-2-yl)-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 163506521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).