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

C9H6ClIN2O — CID 114771652

IUPAC2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole
SMILESCc1cc(Cl)cc(-c2nnc(I)o2)c1
InChIInChI=1S/C9H6ClIN2O/c1-5-2-6(4-7(10)3-5)8-12-13-9(11)14-8/h2-4H,1H3
InChIKeyVMDURQSIQCGSPX-UHFFFAOYSA-N
MW320.52 g/mol
LogP3.30
Rot. Bonds1

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

2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole (PubChem CID 114771652) has the molecular formula C9H6ClIN2O and a molecular weight of 320.52 g/mol. Its IUPAC name is 2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole
PubChem CID114771652
Molecular FormulaC9H6ClIN2O
Molecular Weight320.52 g/mol
Exact Mass319.92
IUPAC Name2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole
SMILESCc1cc(Cl)cc(-c2nnc(I)o2)c1
InChIInChI=1S/C9H6ClIN2O/c1-5-2-6(4-7(10)3-5)8-12-13-9(11)14-8/h2-4H,1H3
InChIKeyVMDURQSIQCGSPX-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-iodo-5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 114771871
5-(3-chloro-5-methylphenyl)-3-iodo-1,2,4-oxadiazole
CID 112572269
2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-thiadiazole
CID 81325218
5-amino-2-(3-chloro-5-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 81325145
2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
CID 107944228
2-chloro-5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazole
CID 81325135
3,5-dichloro-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43976885
2-(3-bromo-4-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771763
2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole
CID 114771628
2-(3,4-dimethoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771479
2-(5-chloro-2-methoxyphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771469
1-[5-(3-chloro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096401

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole (CID 114771652) is 2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole is Cc1cc(Cl)cc(-c2nnc(I)o2)c1.
What is the InChIKey of 2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole?
The InChIKey is VMDURQSIQCGSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIN2O/c1-5-2-6(4-7(10)3-5)8-12-13-9(11)14-8/h2-4H,1H3.
What are the key properties of 2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole?
2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-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 2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 114771652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).