2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole

C21H19N3OS — CID 7630290

IUPAC2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cc(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2c(C)cccc12
InChIInChI=1S/C21H19N3OS/c1-13-8-7-11-17-14(2)12-18(22-19(13)17)26-15(3)20-23-24-21(25-20)16-9-5-4-6-10-16/h4-12,15H,1-3H3/t15-/m0/s1
InChIKeyYKEWGHPDIUFYQL-HNNXBMFYSA-N
MW361.47 g/mol
LogP5.75
Rot. Bonds4

About 2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole

2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 7630290) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID7630290
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cc(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2c(C)cccc12
InChIInChI=1S/C21H19N3OS/c1-13-8-7-11-17-14(2)12-18(22-19(13)17)26-15(3)20-23-24-21(25-20)16-9-5-4-6-10-16/h4-12,15H,1-3H3/t15-/m0/s1
InChIKeyYKEWGHPDIUFYQL-HNNXBMFYSA-N
XLogP5.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 7627765
2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole
CID 24633519
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-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 46549092
2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 4821234
2-(4-methylphenyl)-5-[(1S)-1-pyridin-2-ylsulfanylethyl]-1,3,4-oxadiazole
CID 51928517
2-[(1R)-1-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 7630065
2-[1-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807673
2-[1-(2-methoxyphenyl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 60593890
3-(3,5-dimethylphenyl)-2-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]quinazolin-4-one
CID 55384871
2-[(1S)-1-(4-bromophenyl)sulfanylethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 51923748

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole (CID 7630290) is 2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole is Cc1cc(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2c(C)cccc12.
What is the InChIKey of 2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is YKEWGHPDIUFYQL-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-13-8-7-11-17-14(2)12-18(22-19(13)17)26-15(3)20-23-24-21(25-20)16-9-5-4-6-10-16/h4-12,15H,1-3H3/t15-/m0/s1.
What are the key properties of 2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 361.47 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(4,8-dimethylquinolin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 7630290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).