2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole

C19H20N2OS — CID 24633519

IUPAC2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole
SMILESCc1cc(C)c(SC(C)c2nnc(-c3ccccc3)o2)c(C)c1
InChIInChI=1S/C19H20N2OS/c1-12-10-13(2)17(14(3)11-12)23-15(4)18-20-21-19(22-18)16-8-6-5-7-9-16/h5-11,15H,1-4H3
InChIKeyJHLNRKXAQFEUNU-UHFFFAOYSA-N
MW324.45 g/mol
LogP5.52
Rot. Bonds4

About 2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole

2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole (PubChem CID 24633519) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole
PubChem CID24633519
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole
SMILESCc1cc(C)c(SC(C)c2nnc(-c3ccccc3)o2)c(C)c1
InChIInChI=1S/C19H20N2OS/c1-12-10-13(2)17(14(3)11-12)23-15(4)18-20-21-19(22-18)16-8-6-5-7-9-16/h5-11,15H,1-4H3
InChIKeyJHLNRKXAQFEUNU-UHFFFAOYSA-N
XLogP5.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.45
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-nitrophenyl)-5-[(1S)-1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole
CID 8682124
2-(3-methylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629943
2-(3,4-dimethylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629590
2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 46821309
2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 46549092
2-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807804
2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 7630290
2-[1-(2-methoxyphenyl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 60593890
2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 40510123
2-(4-methylphenyl)-5-[(1S)-1-pyridin-2-ylsulfanylethyl]-1,3,4-oxadiazole
CID 51928517
2-(4-fluorophenyl)-5-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7628166
2-[1-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807673

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole (CID 24633519) is 2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole is Cc1cc(C)c(SC(C)c2nnc(-c3ccccc3)o2)c(C)c1.
What is the InChIKey of 2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole?
The InChIKey is JHLNRKXAQFEUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-12-10-13(2)17(14(3)11-12)23-15(4)18-20-21-19(22-18)16-8-6-5-7-9-16/h5-11,15H,1-4H3.
What are the key properties of 2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole?
2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole has a molecular weight of 324.45 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 24633519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).