3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole

C15H10ClIN2O2 — CID 19332463

IUPAC3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1noc(-c2ccccc2I)n1
InChIInChI=1S/C15H10ClIN2O2/c1-20-13-7-6-9(16)8-11(13)14-18-15(21-19-14)10-4-2-3-5-12(10)17/h2-8H,1H3
InChIKeyKFKDSQVYICMYOK-UHFFFAOYSA-N
MW412.61 g/mol
LogP4.67
Rot. Bonds3

About 3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole

3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole (PubChem CID 19332463) has the molecular formula C15H10ClIN2O2 and a molecular weight of 412.61 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole
PubChem CID19332463
Molecular FormulaC15H10ClIN2O2
Molecular Weight412.61 g/mol
Exact Mass411.95
IUPAC Name3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(Cl)cc1-c1noc(-c2ccccc2I)n1
InChIInChI=1S/C15H10ClIN2O2/c1-20-13-7-6-9(16)8-11(13)14-18-15(21-19-14)10-4-2-3-5-12(10)17/h2-8H,1H3
InChIKeyKFKDSQVYICMYOK-UHFFFAOYSA-N
XLogP4.67
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.61
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332501
1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 19332731
3-(5-chloro-2-methoxyphenyl)-5-[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazole
CID 19332759
3-chloro-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 112571847
2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325269
5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 936656
3-(5-chloro-2-methoxyphenyl)-5-[2-[(4-chlorophenoxy)methyl]pyrazol-3-yl]-1,2,4-oxadiazole
CID 19332723
3-(5-chloro-2-methoxyphenyl)-5-[5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19332642
2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771469
N-[2-[(2-chlorobenzoyl)amino]ethyl]-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083533
3-(2-iodophenyl)-5-methyl-1,2,4-oxadiazole
CID 131159700
3-iodo-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 112572229

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole (CID 19332463) is 3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole is COc1ccc(Cl)cc1-c1noc(-c2ccccc2I)n1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole?
The InChIKey is KFKDSQVYICMYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN2O2/c1-20-13-7-6-9(16)8-11(13)14-18-15(21-19-14)10-4-2-3-5-12(10)17/h2-8H,1H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole?
3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole has a molecular weight of 412.61 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 19332463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).