4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol

C15H10ClIN2O3 — CID 136509876

IUPAC4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol
SMILESCOc1ccc(-c2nc(-c3ccc(O)c(I)c3)no2)cc1Cl
InChIInChI=1S/C15H10ClIN2O3/c1-21-13-5-3-9(6-10(13)16)15-18-14(19-22-15)8-2-4-12(20)11(17)7-8/h2-7,20H,1H3
InChIKeyYKDMGNUKOVNOMT-UHFFFAOYSA-N
MW428.61 g/mol
LogP4.38
Rot. Bonds3

About 4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol

4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol (PubChem CID 136509876) has the molecular formula C15H10ClIN2O3 and a molecular weight of 428.61 g/mol. Its IUPAC name is 4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol.

Molecular Properties

Compound Name4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol
PubChem CID136509876
Molecular FormulaC15H10ClIN2O3
Molecular Weight428.61 g/mol
Exact Mass427.94
IUPAC Name4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol
SMILESCOc1ccc(-c2nc(-c3ccc(O)c(I)c3)no2)cc1Cl
InChIInChI=1S/C15H10ClIN2O3/c1-21-13-5-3-9(6-10(13)16)15-18-14(19-22-15)8-2-4-12(20)11(17)7-8/h2-7,20H,1H3
InChIKeyYKDMGNUKOVNOMT-UHFFFAOYSA-N
XLogP4.38
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.61
LogP ≤ 54.38
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

3-(3-chloro-4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 59007023
4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136889520
2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888720
5-chloro-4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol
CID 136509872
5-(4-chloro-3-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 8895254
4-[5-(3-chloro-4-propoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-iodophenol
CID 136509861
5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 705865
2-[2-chloro-4-[3-(4-hydroxy-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methoxyphenoxy]acetamide
CID 167975391
3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
3-(3-iodo-4-propan-2-yloxyphenyl)-5-[4-methoxy-3-(2-methylpropoxy)phenyl]-1,2,4-oxadiazole
CID 90112899
5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79733049

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol?
The IUPAC name of 4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol (CID 136509876) is 4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol.
What is the SMILES notation for 4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol?
The canonical SMILES for 4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol is COc1ccc(-c2nc(-c3ccc(O)c(I)c3)no2)cc1Cl.
What is the InChIKey of 4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol?
The InChIKey is YKDMGNUKOVNOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN2O3/c1-21-13-5-3-9(6-10(13)16)15-18-14(19-22-15)8-2-4-12(20)11(17)7-8/h2-7,20H,1H3.
What are the key properties of 4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol?
4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol has a molecular weight of 428.61 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chloro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-iodophenol is sourced from PubChem (CID 136509876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).