3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole

C16H12N4O2S2 — CID 87033525

IUPAC3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CSCc3noc(-c4cccs4)n3)n2)cc1
InChIInChI=1S/C16H12N4O2S2/c1-2-5-11(6-3-1)15-18-14(21-20-15)10-23-9-13-17-16(22-19-13)12-7-4-8-24-12/h1-8H,9-10H2
InChIKeyJWSWAMWRCMROGL-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.28
Rot. Bonds6

About 3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole

3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 87033525) has the molecular formula C16H12N4O2S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole
PubChem CID87033525
Molecular FormulaC16H12N4O2S2
Molecular Weight356.43 g/mol
Exact Mass356.04
IUPAC Name3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CSCc3noc(-c4cccs4)n3)n2)cc1
InChIInChI=1S/C16H12N4O2S2/c1-2-5-11(6-3-1)15-18-14(21-20-15)10-23-9-13-17-16(22-19-13)12-7-4-8-24-12/h1-8H,9-10H2
InChIKeyJWSWAMWRCMROGL-UHFFFAOYSA-N
XLogP4.28
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 50755689
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 35526015
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 18138266
5-[(6-phenylpyridazin-3-yl)sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 46329488
5-phenyl-3-[[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 112803330
5-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18171412
3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11471260
3-phenyl-5-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 7889538
3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propane-1,2-diol
CID 79681915
N,N-dimethyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanamine
CID 3046126
5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
CID 10014918
5-[(3-fluorophenyl)methylsulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 78845533

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole (CID 87033525) is 3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole is c1ccc(-c2noc(CSCc3noc(-c4cccs4)n3)n2)cc1.
What is the InChIKey of 3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is JWSWAMWRCMROGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S2/c1-2-5-11(6-3-1)15-18-14(21-20-15)10-23-9-13-17-16(22-19-13)12-7-4-8-24-12/h1-8H,9-10H2.
What are the key properties of 3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole?
3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 356.43 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 87033525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).