3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole

C16H12N6OS — CID 707117

IUPAC3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CSc3nnnn3-c3ccccc3)n2)cc1
InChIInChI=1S/C16H12N6OS/c1-3-7-12(8-4-1)15-17-14(23-19-15)11-24-16-18-20-21-22(16)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyAIWGSZGJPSCRBJ-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.00
Rot. Bonds5

About 3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole

3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 707117) has the molecular formula C16H12N6OS and a molecular weight of 336.38 g/mol. Its IUPAC name is 3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID707117
Molecular FormulaC16H12N6OS
Molecular Weight336.38 g/mol
Exact Mass336.08
IUPAC Name3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CSc3nnnn3-c3ccccc3)n2)cc1
InChIInChI=1S/C16H12N6OS/c1-3-7-12(8-4-1)15-17-14(23-19-15)11-24-16-18-20-21-22(16)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyAIWGSZGJPSCRBJ-UHFFFAOYSA-N
XLogP3.00
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-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

5-[[(1-Cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-1,2,4-oxadiazole
CID 2927070
2-[(1-phenyl-1H-tetrazol-5-yl)thio]-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
CID 1589754
3-(4-Methylphenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 1225794
5-({[5-benzyl-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-3-(2-thienyl)-1,2,4-oxadiazole
CID 1249303
5-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 2227128
5-({[5-benzyl-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 2231199
N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
CID 3245897
3-(4-Methylphenyl)-5-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 4125870
5-({[5-Methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 16013175
5-({[4-(3,4-Dimethylphenyl)-5-methyl-4H-1,2,4-triazol-3-YL]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 16013181
3-(4-chlorophenyl)-5-({[4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
CID 16013196
5-({[5-benzyl-4-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole
CID 16013245

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 707117) is 3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole is c1ccc(-c2noc(CSc3nnnn3-c3ccccc3)n2)cc1.
What is the InChIKey of 3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is AIWGSZGJPSCRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6OS/c1-3-7-12(8-4-1)15-17-14(23-19-15)11-24-16-18-20-21-22(16)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole?
3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 336.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 707117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).