2-methyl-1,3-benzoxazole;hydroiodide

C8H8INO — CID 173239449

IUPAC2-methyl-1,3-benzoxazole;hydroiodide
SMILESCc1nc2ccccc2o1.I
InChIInChI=1S/C8H7NO.HI/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-5H,1H3;1H
InChIKeyJUQFKYNMUXNUHX-UHFFFAOYSA-N
MW261.06 g/mol
LogP2.75
Rot. Bonds

About 2-methyl-1,3-benzoxazole;hydroiodide

2-methyl-1,3-benzoxazole;hydroiodide (PubChem CID 173239449) has the molecular formula C8H8INO and a molecular weight of 261.06 g/mol. Its IUPAC name is 2-methyl-1,3-benzoxazole;hydroiodide.

Molecular Properties

Compound Name2-methyl-1,3-benzoxazole;hydroiodide
PubChem CID173239449
Molecular FormulaC8H8INO
Molecular Weight261.06 g/mol
Exact Mass260.97
IUPAC Name2-methyl-1,3-benzoxazole;hydroiodide
SMILESCc1nc2ccccc2o1.I
InChIInChI=1S/C8H7NO.HI/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-5H,1H3;1H
InChIKeyJUQFKYNMUXNUHX-UHFFFAOYSA-N
XLogP2.75
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.06
LogP ≤ 52.75
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-methyl-1,3-benzoxazole;prop-1-ene
CID 178101004
CID 157241196
CID 157241196
lithium;bis(carbon dioxide);2,5-dimethyl-1,3-benzoxazole;2-methyl-1,3-benzoxazole;hydroxide;hydrate
CID 159145019
1,3-benzoxazol-2-yl(trimethyl)silane
CID 12934592
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
2-methyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 20610547
N,N-diphenylaniline;ethane;2-methyl-1,3-benzoxazole;bis(2-methyl-3H-indole)
CID 163577880
2-ethyl-1,3-benzoxazole
CID 23239
2-(dibromomethyl)-1,3-benzoxazole
CID 91619168
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;ethane
CID 143414521
2-[5-(1,3-benzoxazol-2-yl)-2,4-dimethylphenyl]-1,3-benzoxazole
CID 102587552

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzoxazole;hydroiodide?
The IUPAC name of 2-methyl-1,3-benzoxazole;hydroiodide (CID 173239449) is 2-methyl-1,3-benzoxazole;hydroiodide.
What is the SMILES notation for 2-methyl-1,3-benzoxazole;hydroiodide?
The canonical SMILES for 2-methyl-1,3-benzoxazole;hydroiodide is Cc1nc2ccccc2o1.I.
What is the InChIKey of 2-methyl-1,3-benzoxazole;hydroiodide?
The InChIKey is JUQFKYNMUXNUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.HI/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-5H,1H3;1H.
What are the key properties of 2-methyl-1,3-benzoxazole;hydroiodide?
2-methyl-1,3-benzoxazole;hydroiodide has a molecular weight of 261.06 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-benzoxazole;hydroiodide is sourced from PubChem (CID 173239449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).