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

C18H14N4O2S — CID 8707965

IUPAC2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(-c2noc(SCc3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C18H14N4O2S/c1-12-7-9-13(10-8-12)16-19-18(24-22-16)25-11-15-20-21-17(23-15)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyZIRUSHXPAFUACM-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.39
Rot. Bonds5

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

2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 8707965) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID8707965
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(-c2noc(SCc3nnc(-c4ccccc4)o3)n2)cc1
InChIInChI=1S/C18H14N4O2S/c1-12-7-9-13(10-8-12)16-19-18(24-22-16)25-11-15-20-21-17(23-15)14-5-3-2-4-6-14/h2-10H,11H2,1H3
InChIKeyZIRUSHXPAFUACM-UHFFFAOYSA-N
XLogP4.39
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(4-methylphenyl)-5-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 8528974
2-(4-tert-butylphenyl)-5-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 46815761
2-(3-methylphenyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
CID 53153559
2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 112781732
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 78819697
2-ethyl-5-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 18130665
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 31407605
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 35526015
6-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-4-amine
CID 17470671
2-(2-bromophenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29183417
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 46693046
2-(3,4-dimethoxyphenyl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 110656547

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole (CID 8707965) is 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is Cc1ccc(-c2noc(SCc3nnc(-c4ccccc4)o3)n2)cc1.
What is the InChIKey of 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is ZIRUSHXPAFUACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-12-7-9-13(10-8-12)16-19-18(24-22-16)25-11-15-20-21-17(23-15)14-5-3-2-4-6-14/h2-10H,11H2,1H3.
What are the key properties of 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole?
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 350.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 8707965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).