2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole

C15H16N4O3S — CID 47073142

IUPAC2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(SC(C)c3nnc(C)o3)o2)cc1
InChIInChI=1S/C15H16N4O3S/c1-4-20-12-7-5-11(6-8-12)14-18-19-15(22-14)23-9(2)13-17-16-10(3)21-13/h5-9H,4H2,1-3H3
InChIKeyVMRPTAWKTGTRCA-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.68
Rot. Bonds6

About 2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole

2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole (PubChem CID 47073142) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole
PubChem CID47073142
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(SC(C)c3nnc(C)o3)o2)cc1
InChIInChI=1S/C15H16N4O3S/c1-4-20-12-7-5-11(6-8-12)14-18-19-15(22-14)23-9(2)13-17-16-10(3)21-13/h5-9H,4H2,1-3H3
InChIKeyVMRPTAWKTGTRCA-UHFFFAOYSA-N
XLogP3.68
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-ethoxyphenyl)-5-[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole
CID 8913952
2-(4-ethoxyphenyl)-5-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7734454
2-[(4-methylphenoxy)methyl]-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,4-oxadiazole
CID 55602706
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 8582003
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 38843324
(2R)-1-(4-ethoxyphenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7661137
ethyl (2S)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetate
CID 7661122
(2S)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylpropanamide
CID 8913926
2-(3,4-dimethoxyphenyl)-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,4-oxadiazole
CID 55390132
(2R)-N-(2,6-dimethylphenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8996041
(2S)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7661117
(2R)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 8996075

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole (CID 47073142) is 2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole is CCOc1ccc(-c2nnc(SC(C)c3nnc(C)o3)o2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole?
The InChIKey is VMRPTAWKTGTRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-4-20-12-7-5-11(6-8-12)14-18-19-15(22-14)23-9(2)13-17-16-10(3)21-13/h5-9H,4H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole?
2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole has a molecular weight of 332.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 47073142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).