7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole

C9H5IN2O2 — CID 167001268

IUPAC7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole
SMILESCc1noc2c1ccc1nc(I)oc12
InChIInChI=1S/C9H5IN2O2/c1-4-5-2-3-6-8(7(5)14-12-4)13-9(10)11-6/h2-3H,1H3
InChIKeyNGEXLNUNCRWRQJ-UHFFFAOYSA-N
MW300.06 g/mol
LogP2.88
Rot. Bonds

About 7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole

7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole (PubChem CID 167001268) has the molecular formula C9H5IN2O2 and a molecular weight of 300.06 g/mol. Its IUPAC name is 7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole.

Molecular Properties

Compound Name7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole
PubChem CID167001268
Molecular FormulaC9H5IN2O2
Molecular Weight300.06 g/mol
Exact Mass299.94
IUPAC Name7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole
SMILESCc1noc2c1ccc1nc(I)oc12
InChIInChI=1S/C9H5IN2O2/c1-4-5-2-3-6-8(7(5)14-12-4)13-9(10)11-6/h2-3H,1H3
InChIKeyNGEXLNUNCRWRQJ-UHFFFAOYSA-N
XLogP2.88
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.06
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole?
The IUPAC name of 7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole (CID 167001268) is 7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole.
What is the SMILES notation for 7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole?
The canonical SMILES for 7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole is Cc1noc2c1ccc1nc(I)oc12.
What is the InChIKey of 7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole?
The InChIKey is NGEXLNUNCRWRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5IN2O2/c1-4-5-2-3-6-8(7(5)14-12-4)13-9(10)11-6/h2-3H,1H3.
What are the key properties of 7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole?
7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole has a molecular weight of 300.06 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-3-methyl-[1,2]oxazolo[4,5-g][1,3]benzoxazole is sourced from PubChem (CID 167001268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).