2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole

C8H7ClN2OS — CID 131047818

IUPAC2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCc1csc(-c2nnc(CCl)o2)c1
InChIInChI=1S/C8H7ClN2OS/c1-5-2-6(13-4-5)8-11-10-7(3-9)12-8/h2,4H,3H2,1H3
InChIKeyRHFOYNGKQANSEW-UHFFFAOYSA-N
MW214.68 g/mol
LogP2.85
Rot. Bonds2

About 2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole

2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole (PubChem CID 131047818) has the molecular formula C8H7ClN2OS and a molecular weight of 214.68 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
PubChem CID131047818
Molecular FormulaC8H7ClN2OS
Molecular Weight214.68 g/mol
Exact Mass214.00
IUPAC Name2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCc1csc(-c2nnc(CCl)o2)c1
InChIInChI=1S/C8H7ClN2OS/c1-5-2-6(13-4-5)8-11-10-7(3-9)12-8/h2,4H,3H2,1H3
InChIKeyRHFOYNGKQANSEW-UHFFFAOYSA-N
XLogP2.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazole
CID 81127130
2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 130778751
2-(chloromethyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole
CID 65200009
2-(5-bromo-4-methylthiophen-2-yl)-5-(3-chloropropyl)-1,3,4-oxadiazole
CID 79981773
2-(chloromethyl)-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazole
CID 16789153
2-(chloromethyl)-5-(2,4,6-trifluorophenyl)-1,3,4-oxadiazole
CID 65101529
N-[[5-(4-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 81124831
2-(4-bromo-2-chlorophenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 43805456
2-(2-chloroethyl)-5-(4-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 130978362
2-(chloromethyl)-5-(3-methyl-2-pyridinyl)-1,3,4-oxadiazole
CID 62340991
2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane
CID 145188643
2-(2-bromo-6-methylphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 131123776

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole (CID 131047818) is 2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole is Cc1csc(-c2nnc(CCl)o2)c1.
What is the InChIKey of 2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole?
The InChIKey is RHFOYNGKQANSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS/c1-5-2-6(13-4-5)8-11-10-7(3-9)12-8/h2,4H,3H2,1H3.
What are the key properties of 2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole?
2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole has a molecular weight of 214.68 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 131047818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).