4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol

C15H11IN2O3 — CID 136885977

IUPAC4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1cccc(-c2noc(-c3cc(I)ccc3O)n2)c1
InChIInChI=1S/C15H11IN2O3/c1-20-11-4-2-3-9(7-11)14-17-15(21-18-14)12-8-10(16)5-6-13(12)19/h2-8,19H,1H3
InChIKeyKSWJNLDFZHGLIP-UHFFFAOYSA-N
MW394.17 g/mol
LogP3.72
Rot. Bonds3

About 4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol

4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136885977) has the molecular formula C15H11IN2O3 and a molecular weight of 394.17 g/mol. Its IUPAC name is 4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136885977
Molecular FormulaC15H11IN2O3
Molecular Weight394.17 g/mol
Exact Mass393.98
IUPAC Name4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1cccc(-c2noc(-c3cc(I)ccc3O)n2)c1
InChIInChI=1S/C15H11IN2O3/c1-20-11-4-2-3-9(7-11)14-17-15(21-18-14)12-8-10(16)5-6-13(12)19/h2-8,19H,1H3
InChIKeyKSWJNLDFZHGLIP-UHFFFAOYSA-N
XLogP3.72
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.17
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904028
5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706529
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43519239
5-(2,4-dimethylpyrimidin-5-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 99821058
4-iodo-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 136885967
4-bromo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62072815
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
4-[5-(2-amino-5-iodophenyl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888853
2-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-iodophenol
CID 136886052
5-ethyl-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 63614847
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 851433
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136885977) is 4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is COc1cccc(-c2noc(-c3cc(I)ccc3O)n2)c1.
What is the InChIKey of 4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is KSWJNLDFZHGLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O3/c1-20-11-4-2-3-9(7-11)14-17-15(21-18-14)12-8-10(16)5-6-13(12)19/h2-8,19H,1H3.
What are the key properties of 4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 394.17 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136885977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).