6-iodo-2-methyl-1,3-benzoxazole

C8H6INO — CID 119084609

IUPAC6-iodo-2-methyl-1,3-benzoxazole
SMILESCc1nc2ccc(I)cc2o1
InChIInChI=1S/C8H6INO/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3
InChIKeyNOLHZWFWZDDNTC-UHFFFAOYSA-N
MW259.05 g/mol
LogP2.74
Rot. Bonds

About 6-iodo-2-methyl-1,3-benzoxazole

6-iodo-2-methyl-1,3-benzoxazole (PubChem CID 119084609) has the molecular formula C8H6INO and a molecular weight of 259.05 g/mol. Its IUPAC name is 6-iodo-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-iodo-2-methyl-1,3-benzoxazole
PubChem CID119084609
Molecular FormulaC8H6INO
Molecular Weight259.05 g/mol
Exact Mass258.95
IUPAC Name6-iodo-2-methyl-1,3-benzoxazole
SMILESCc1nc2ccc(I)cc2o1
InChIInChI=1S/C8H6INO/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3
InChIKeyNOLHZWFWZDDNTC-UHFFFAOYSA-N
XLogP2.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 52.74
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

2-(2-methyl-1,3-benzoxazol-6-yl)propane-2-thiol
CID 116866628
2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine
CID 82403969
2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane
CID 143414521
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
2-methyl-1,3-benzoxazole-6-sulfinate
CID 20632666
6-iodo-2-[(2S)-pentan-2-yl]-1,3-benzoxazole
CID 163452378
6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole
CID 84672190
N-methyl-N'-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]methanediamine
CID 115227219
2-(4-bromophenyl)-6-iodo-1,3-benzoxazole
CID 172702567
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
4-(6-iodo-1,3-benzoxazol-2-yl)aniline
CID 143883357
2-methyl-1,3-benzoxazole;hydroiodide
CID 173239449

Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-methyl-1,3-benzoxazole?
The IUPAC name of 6-iodo-2-methyl-1,3-benzoxazole (CID 119084609) is 6-iodo-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 6-iodo-2-methyl-1,3-benzoxazole?
The canonical SMILES for 6-iodo-2-methyl-1,3-benzoxazole is Cc1nc2ccc(I)cc2o1.
What is the InChIKey of 6-iodo-2-methyl-1,3-benzoxazole?
The InChIKey is NOLHZWFWZDDNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6INO/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3.
What are the key properties of 6-iodo-2-methyl-1,3-benzoxazole?
6-iodo-2-methyl-1,3-benzoxazole has a molecular weight of 259.05 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 119084609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).