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

C12H7ClN2OS — CID 718733

IUPAC5-(3-chlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESClc1cccc(-c2nc(-c3cccs3)no2)c1
InChIInChI=1S/C12H7ClN2OS/c13-9-4-1-3-8(7-9)12-14-11(15-16-12)10-5-2-6-17-10/h1-7H
InChIKeyOANWKFNRADFKGQ-UHFFFAOYSA-N
MW262.72 g/mol
LogP4.12
Rot. Bonds2

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

5-(3-chlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 718733) has the molecular formula C12H7ClN2OS and a molecular weight of 262.72 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID718733
Molecular FormulaC12H7ClN2OS
Molecular Weight262.72 g/mol
Exact Mass262.00
IUPAC Name5-(3-chlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESClc1cccc(-c2nc(-c3cccs3)no2)c1
InChIInChI=1S/C12H7ClN2OS/c13-9-4-1-3-8(7-9)12-14-11(15-16-12)10-5-2-6-17-10/h1-7H
InChIKeyOANWKFNRADFKGQ-UHFFFAOYSA-N
XLogP4.12
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 718733) is 5-(3-chlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole is Clc1cccc(-c2nc(-c3cccs3)no2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is OANWKFNRADFKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2OS/c13-9-4-1-3-8(7-9)12-14-11(15-16-12)10-5-2-6-17-10/h1-7H.
What are the key properties of 5-(3-chlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(3-chlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 262.72 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 718733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).