5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole

C8H7ClN2OS — CID 43627759

IUPAC5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESClCCc1nc(-c2ccsc2)no1
InChIInChI=1S/C8H7ClN2OS/c9-3-1-7-10-8(11-12-7)6-2-4-13-5-6/h2,4-5H,1,3H2
InChIKeyLWYLIJFNNLQKDP-UHFFFAOYSA-N
MW214.68 g/mol
LogP2.58
Rot. Bonds3

About 5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole

5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 43627759) has the molecular formula C8H7ClN2OS and a molecular weight of 214.68 g/mol. Its IUPAC name is 5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID43627759
Molecular FormulaC8H7ClN2OS
Molecular Weight214.68 g/mol
Exact Mass214.00
IUPAC Name5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESClCCc1nc(-c2ccsc2)no1
InChIInChI=1S/C8H7ClN2OS/c9-3-1-7-10-8(11-12-7)6-2-4-13-5-6/h2,4-5H,1,3H2
InChIKeyLWYLIJFNNLQKDP-UHFFFAOYSA-N
XLogP2.58
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 52.58
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

4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 43627834
2-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine
CID 43249554
N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 47429780
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 54908982
1-thiomorpholin-4-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 56813515
5-[(4-chlorophenyl)methylsulfonylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 2740447
2-[propyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 60696504
5-(2-chloroethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole
CID 43658624
1-phenyl-2-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43627790
N-cyclopentyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 9078298
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628
N'-(2-phenylethyl)-N'-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine
CID 120871549

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole (CID 43627759) is 5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole is ClCCc1nc(-c2ccsc2)no1.
What is the InChIKey of 5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is LWYLIJFNNLQKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS/c9-3-1-7-10-8(11-12-7)6-2-4-13-5-6/h2,4-5H,1,3H2.
What are the key properties of 5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole?
5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 214.68 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 43627759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).