2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole

C9H8N2OS — CID 779314

IUPAC2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole
SMILESCSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C9H8N2OS/c1-13-9-11-10-8(12-9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyJVTKECPNVZDYJL-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.46
Rot. Bonds2

About 2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole

2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole (PubChem CID 779314) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole
PubChem CID779314
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole
SMILESCSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C9H8N2OS/c1-13-9-11-10-8(12-9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyJVTKECPNVZDYJL-UHFFFAOYSA-N
XLogP2.46
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole (CID 779314) is 2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole is CSc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole?
The InChIKey is JVTKECPNVZDYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-13-9-11-10-8(12-9)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole?
2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole has a molecular weight of 192.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 779314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).