3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole

C17H13N3OS — CID 162651749

IUPAC3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
SMILESCSc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1
InChIInChI=1S/C17H13N3OS/c1-22-14-5-2-11(3-6-14)17-19-16(20-21-17)13-4-7-15-12(10-13)8-9-18-15/h2-10,18H,1H3
InChIKeyMMZOJDBSHWYDIO-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.61
Rot. Bonds3

About 3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole

3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole (PubChem CID 162651749) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
PubChem CID162651749
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
SMILESCSc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1
InChIInChI=1S/C17H13N3OS/c1-22-14-5-2-11(3-6-14)17-19-16(20-21-17)13-4-7-15-12(10-13)8-9-18-15/h2-10,18H,1H3
InChIKeyMMZOJDBSHWYDIO-UHFFFAOYSA-N
XLogP4.61
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole
CID 162643919
5-(1H-indol-5-yl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole
CID 139308391
2-methyl-4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 106847232
2-methyl-5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106850093
3-chloro-5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 106847325
5-(1H-indol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97455316
4-bromo-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885829
S-[4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]thiohydroxylamine
CID 142094941
5-(furan-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 99964209
[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
CID 42568916
5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole
CID 71460051
4-methyl-3-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 106847320

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole (CID 162651749) is 3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole is CSc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1.
What is the InChIKey of 3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole?
The InChIKey is MMZOJDBSHWYDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-22-14-5-2-11(3-6-14)17-19-16(20-21-17)13-4-7-15-12(10-13)8-9-18-15/h2-10,18H,1H3.
What are the key properties of 3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole?
3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole has a molecular weight of 307.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-5-yl)-5-(4-methylsulfanylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 162651749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).