5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole

C9H6ClIN2O — CID 112572269

IUPAC5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole
SMILESCc1cc(Cl)cc(-c2nc(I)no2)c1
InChIInChI=1S/C9H6ClIN2O/c1-5-2-6(4-7(10)3-5)8-12-9(11)13-14-8/h2-4H,1H3
InChIKeyZYOGUVFBLUANSA-UHFFFAOYSA-N
MW320.52 g/mol
LogP3.30
Rot. Bonds1

About 5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole

5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole (PubChem CID 112572269) has the molecular formula C9H6ClIN2O and a molecular weight of 320.52 g/mol. Its IUPAC name is 5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole
PubChem CID112572269
Molecular FormulaC9H6ClIN2O
Molecular Weight320.52 g/mol
Exact Mass319.92
IUPAC Name5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole
SMILESCc1cc(Cl)cc(-c2nc(I)no2)c1
InChIInChI=1S/C9H6ClIN2O/c1-5-2-6(4-7(10)3-5)8-12-9(11)13-14-8/h2-4H,1H3
InChIKeyZYOGUVFBLUANSA-UHFFFAOYSA-N
XLogP3.30
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 81325124
1-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096401
2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771652
5-(3-chloro-5-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 80979027
3-iodo-5-(5-methylfuran-3-yl)-1,2,4-oxadiazole
CID 114822769
ethyl 5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 81324814
5-(3,5-dimethoxyphenyl)-3-iodo-1,2,4-oxadiazole
CID 112572230
1-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634608
1-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634300
2-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971869
3-(3-chloro-5-methylphenyl)-5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazole
CID 141439096
2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-thiadiazole
CID 81325218

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole (CID 112572269) is 5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole is Cc1cc(Cl)cc(-c2nc(I)no2)c1.
What is the InChIKey of 5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole?
The InChIKey is ZYOGUVFBLUANSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIN2O/c1-5-2-6(4-7(10)3-5)8-12-9(11)13-14-8/h2-4H,1H3.
What are the key properties of 5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole?
5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole has a molecular weight of 320.52 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole is sourced from PubChem (CID 112572269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).