4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol

C15H12N2O2S — CID 855989

IUPAC4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol
SMILESOc1ccc(-c2nnc(SCc3ccccc3)o2)cc1
InChIInChI=1S/C15H12N2O2S/c18-13-8-6-12(7-9-13)14-16-17-15(19-14)20-10-11-4-2-1-3-5-11/h1-9,18H,10H2
InChIKeyKLMFEJLVDLLWJA-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.73
Rot. Bonds4

About 4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol

4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol (PubChem CID 855989) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol.

Molecular Properties

Compound Name4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol
PubChem CID855989
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol
SMILESOc1ccc(-c2nnc(SCc3ccccc3)o2)cc1
InChIInChI=1S/C15H12N2O2S/c18-13-8-6-12(7-9-13)14-16-17-15(19-14)20-10-11-4-2-1-3-5-11/h1-9,18H,10H2
InChIKeyKLMFEJLVDLLWJA-UHFFFAOYSA-N
XLogP3.73
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol 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 4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol?
The IUPAC name of 4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol (CID 855989) is 4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol.
What is the SMILES notation for 4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol?
The canonical SMILES for 4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol is Oc1ccc(-c2nnc(SCc3ccccc3)o2)cc1.
What is the InChIKey of 4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol?
The InChIKey is KLMFEJLVDLLWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-13-8-6-12(7-9-13)14-16-17-15(19-14)20-10-11-4-2-1-3-5-11/h1-9,18H,10H2.
What are the key properties of 4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol?
4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol has a molecular weight of 284.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)phenol is sourced from PubChem (CID 855989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).