3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole

C16H17N3O2S2 — CID 97222701

IUPAC3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(C[S@](=O)CCc3scnc3C)n2)cc1
InChIInChI=1S/C16H17N3O2S2/c1-11-3-5-13(6-4-11)16-18-15(21-19-16)9-23(20)8-7-14-12(2)17-10-22-14/h3-6,10H,7-9H2,1-2H3/t23-/m1/s1
InChIKeyJKUHQUGXUYILPB-HSZRJFAPSA-N
MW347.46 g/mol
LogP3.30
Rot. Bonds6

About 3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole

3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole (PubChem CID 97222701) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole
PubChem CID97222701
Molecular FormulaC16H17N3O2S2
Molecular Weight347.46 g/mol
Exact Mass347.08
IUPAC Name3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(C[S@](=O)CCc3scnc3C)n2)cc1
InChIInChI=1S/C16H17N3O2S2/c1-11-3-5-13(6-4-11)16-18-15(21-19-16)9-23(20)8-7-14-12(2)17-10-22-14/h3-6,10H,7-9H2,1-2H3/t23-/m1/s1
InChIKeyJKUHQUGXUYILPB-HSZRJFAPSA-N
XLogP3.30
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(4-ethylphenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfinylmethyl]-1,2,4-oxadiazole
CID 78853499
3-(3-methoxyphenyl)-5-[[(R)-(4-methylphenyl)methylsulfinyl]methyl]-1,2,4-oxadiazole
CID 95330988
N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]ethanesulfonamide
CID 110323882
3-(4-methylphenyl)-5-[(4-methylsulfonylphenoxy)methyl]-1,2,4-oxadiazole
CID 78803769
3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole
CID 2995458
2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole
CID 97224760
5-(2-cyclopropylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 162262506
3-(3-fluoro-4-methylphenyl)-5-[[(R)-(5-methyl-1,3-oxazol-2-yl)methylsulfinyl]methyl]-1,2,4-oxadiazole
CID 97031086
5-[(4-ethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 806936
5-[3-[(R)-(4-methyl-1,3-thiazol-2-yl)sulfinyl]propyl]-3-phenyl-1,2,4-oxadiazole
CID 99832911
5-[[(S)-(2-chlorophenyl)methylsulfinyl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 94820997
3-(4-methylphenyl)-5-[(4-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 974907

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole (CID 97222701) is 3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole is Cc1ccc(-c2noc(C[S@](=O)CCc3scnc3C)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole?
The InChIKey is JKUHQUGXUYILPB-HSZRJFAPSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-11-3-5-13(6-4-11)16-18-15(21-19-16)9-23(20)8-7-14-12(2)17-10-22-14/h3-6,10H,7-9H2,1-2H3/t23-/m1/s1.
What are the key properties of 3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole has a molecular weight of 347.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-[[(R)-2-(4-methyl-1,3-thiazol-5-yl)ethylsulfinyl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 97222701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).