2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole

C13H10N2OS — CID 29132376

IUPAC2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(-c3ccsc3)o2)cc1
InChIInChI=1S/C13H10N2OS/c1-2-4-10(5-3-1)8-12-14-15-13(16-12)11-6-7-17-9-11/h1-7,9H,8H2
InChIKeyWOAYBAKDQHRGAA-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.39
Rot. Bonds3

About 2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole

2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole (PubChem CID 29132376) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole
PubChem CID29132376
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(-c3ccsc3)o2)cc1
InChIInChI=1S/C13H10N2OS/c1-2-4-10(5-3-1)8-12-14-15-13(16-12)11-6-7-17-9-11/h1-7,9H,8H2
InChIKeyWOAYBAKDQHRGAA-UHFFFAOYSA-N
XLogP3.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole (CID 29132376) is 2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole is c1ccc(Cc2nnc(-c3ccsc3)o2)cc1.
What is the InChIKey of 2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole?
The InChIKey is WOAYBAKDQHRGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-2-4-10(5-3-1)8-12-14-15-13(16-12)11-6-7-17-9-11/h1-7,9H,8H2.
What are the key properties of 2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole?
2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole has a molecular weight of 242.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-thiophen-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 29132376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).