4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol

C9H7IN2O2 — CID 136885967

IUPAC4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1noc(-c2cc(I)ccc2O)n1
InChIInChI=1S/C9H7IN2O2/c1-5-11-9(14-12-5)7-4-6(10)2-3-8(7)13/h2-4,13H,1H3
InChIKeyRAUHOKSDOKAFSB-UHFFFAOYSA-N
MW302.07 g/mol
LogP2.36
Rot. Bonds1

About 4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol

4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 136885967) has the molecular formula C9H7IN2O2 and a molecular weight of 302.07 g/mol. Its IUPAC name is 4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID136885967
Molecular FormulaC9H7IN2O2
Molecular Weight302.07 g/mol
Exact Mass301.96
IUPAC Name4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1noc(-c2cc(I)ccc2O)n1
InChIInChI=1S/C9H7IN2O2/c1-5-11-9(14-12-5)7-4-6(10)2-3-8(7)13/h2-4,13H,1H3
InChIKeyRAUHOKSDOKAFSB-UHFFFAOYSA-N
XLogP2.36
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886124
4-iodo-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136886084
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886075
2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
CID 135979761
4-iodo-2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136886110
4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885977
2-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886118
2-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886108
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886052
2-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886099
4-iodo-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136886042
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813400

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol (CID 136885967) is 4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol is Cc1noc(-c2cc(I)ccc2O)n1.
What is the InChIKey of 4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is RAUHOKSDOKAFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O2/c1-5-11-9(14-12-5)7-4-6(10)2-3-8(7)13/h2-4,13H,1H3.
What are the key properties of 4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol?
4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 302.07 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 136885967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).