3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole

C15H19N3OS — CID 104899239

IUPAC3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole
SMILESCCC(C)SCc1noc([C@@H]2Cc3ccccc3N2)n1
InChIInChI=1S/C15H19N3OS/c1-3-10(2)20-9-14-17-15(19-18-14)13-8-11-6-4-5-7-12(11)16-13/h4-7,10,13,16H,3,8-9H2,1-2H3/t10?,13-/m0/s1
InChIKeyRVJXGKIUZNDWEN-HQVZTVAUSA-N
MW289.40 g/mol
LogP3.81
Rot. Bonds5

About 3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole

3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole (PubChem CID 104899239) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole
PubChem CID104899239
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole
SMILESCCC(C)SCc1noc([C@@H]2Cc3ccccc3N2)n1
InChIInChI=1S/C15H19N3OS/c1-3-10(2)20-9-14-17-15(19-18-14)13-8-11-6-4-5-7-12(11)16-13/h4-7,10,13,16H,3,8-9H2,1-2H3/t10?,13-/m0/s1
InChIKeyRVJXGKIUZNDWEN-HQVZTVAUSA-N
XLogP3.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazole
CID 104899238
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(propylsulfanylmethyl)-1,2,4-oxadiazole
CID 104899235
3-(tert-butylsulfanylmethyl)-5-(2,3-dihydro-1H-indol-2-yl)-1,2,4-oxadiazole
CID 65133684
5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole
CID 43111055
3-[2-(2,2-difluoroethoxy)ethyl]-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole
CID 103146206
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 104899315
5-(2,3-dihydro-1H-indol-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808285
3-(butan-2-ylsulfanylmethyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65137538
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 104899280
5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 43095791
3-butyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole
CID 79404336
2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 65141405

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole (CID 104899239) is 3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole is CCC(C)SCc1noc([C@@H]2Cc3ccccc3N2)n1.
What is the InChIKey of 3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole?
The InChIKey is RVJXGKIUZNDWEN-HQVZTVAUSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-10(2)20-9-14-17-15(19-18-14)13-8-11-6-4-5-7-12(11)16-13/h4-7,10,13,16H,3,8-9H2,1-2H3/t10?,13-/m0/s1.
What are the key properties of 3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole?
3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole has a molecular weight of 289.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylsulfanylmethyl)-5-[(2S)-2,3-dihydro-1H-indol-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104899239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).