2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole

C15H12N2OS2 — CID 155545609

IUPAC2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(CSSc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H12N2OS2/c1-3-7-12(8-4-1)11-19-20-15-17-16-14(18-15)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyFAWQSSCMYYALOM-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.68
Rot. Bonds5

About 2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole

2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 155545609) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID155545609
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC Name2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(CSSc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C15H12N2OS2/c1-3-7-12(8-4-1)11-19-20-15-17-16-14(18-15)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyFAWQSSCMYYALOM-UHFFFAOYSA-N
XLogP4.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 2-(benzyldisulfanyl)-5-phenyl-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

Related Compounds

2-[(4-bromophenyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 717082
2-benzylsulfanyl-5-(4-iodophenyl)-1,3,4-oxadiazole
CID 19060735
2-benzylsulfanyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole
CID 56970576
2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 53495022
2-phenyl-5-[[2,4,6-trimethyl-3,5-bis[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 139079587
2-[(3-phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 71212253
3-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 53495040
2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 166005373
2-phenyl-5-(trifluoromethylsulfanyl)-1,3,4-oxadiazole
CID 156769453
2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 31048483
2-(3-methylphenyl)-5-[(4-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7417780
2-(1,3-oxazol-2-ylmethylsulfanyl)-5-phenyl-1,3,4-oxadiazole
CID 53495028

Frequently Asked Questions

What is the IUPAC name of 2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole (CID 155545609) is 2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole is c1ccc(CSSc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is FAWQSSCMYYALOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS2/c1-3-7-12(8-4-1)11-19-20-15-17-16-14(18-15)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole?
2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 300.41 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzyldisulfanyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 155545609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).