2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole

C14H10ClN3OS — CID 851256

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESClc1ccccc1CSc1nnc(-c2ccncc2)o1
InChIInChI=1S/C14H10ClN3OS/c15-12-4-2-1-3-11(12)9-20-14-18-17-13(19-14)10-5-7-16-8-6-10/h1-8H,9H2
InChIKeyUMPGWHXDJJYISZ-UHFFFAOYSA-N
MW303.77 g/mol
LogP4.08
Rot. Bonds4

About 2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 851256) has the molecular formula C14H10ClN3OS and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID851256
Molecular FormulaC14H10ClN3OS
Molecular Weight303.77 g/mol
Exact Mass303.02
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESClc1ccccc1CSc1nnc(-c2ccncc2)o1
InChIInChI=1S/C14H10ClN3OS/c15-12-4-2-1-3-11(12)9-20-14-18-17-13(19-14)10-5-7-16-8-6-10/h1-8H,9H2
InChIKeyUMPGWHXDJJYISZ-UHFFFAOYSA-N
XLogP4.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 851256) is 2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole is Clc1ccccc1CSc1nnc(-c2ccncc2)o1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is UMPGWHXDJJYISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3OS/c15-12-4-2-1-3-11(12)9-20-14-18-17-13(19-14)10-5-7-16-8-6-10/h1-8H,9H2.
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 303.77 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 851256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).