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

C15H17N3OS2 — CID 104899275

IUPAC5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole
SMILESCC1SCCSC1c1noc([C@@H]2Cc3ccccc3N2)n1
InChIInChI=1S/C15H17N3OS2/c1-9-13(21-7-6-20-9)14-17-15(19-18-14)12-8-10-4-2-3-5-11(10)16-12/h2-5,9,12-13,16H,6-8H2,1H3/t9?,12-,13?/m0/s1
InChIKeyKUZBHIZJKQMHSK-YHECAPGISA-N
MW319.45 g/mol
LogP3.69
Rot. Bonds2

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

5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole (PubChem CID 104899275) has the molecular formula C15H17N3OS2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole
PubChem CID104899275
Molecular FormulaC15H17N3OS2
Molecular Weight319.45 g/mol
Exact Mass319.08
IUPAC Name5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole
SMILESCC1SCCSC1c1noc([C@@H]2Cc3ccccc3N2)n1
InChIInChI=1S/C15H17N3OS2/c1-9-13(21-7-6-20-9)14-17-15(19-18-14)12-8-10-4-2-3-5-11(10)16-12/h2-5,9,12-13,16H,6-8H2,1H3/t9?,12-,13?/m0/s1
InChIKeyKUZBHIZJKQMHSK-YHECAPGISA-N
XLogP3.69
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dihydro-1H-indol-2-yl)-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole
CID 115384981
5-(2,3-dihydro-1H-indol-2-yl)-3-methyl-1,2,4-oxadiazole
CID 43111055
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
2-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 115389023
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-(tert-butylsulfanylmethyl)-5-(2,3-dihydro-1H-indol-2-yl)-1,2,4-oxadiazole
CID 65133684
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-pyrimidin-4-yl-1,2,4-oxadiazole
CID 104899276
5-(2,3-dihydro-1H-indol-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 43097684
5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65196596
5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole
CID 103467097

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole (CID 104899275) is 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole is CC1SCCSC1c1noc([C@@H]2Cc3ccccc3N2)n1.
What is the InChIKey of 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole?
The InChIKey is KUZBHIZJKQMHSK-YHECAPGISA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-9-13(21-7-6-20-9)14-17-15(19-18-14)12-8-10-4-2-3-5-11(10)16-12/h2-5,9,12-13,16H,6-8H2,1H3/t9?,12-,13?/m0/s1.
What are the key properties of 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole?
5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole has a molecular weight of 319.45 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2,3-dihydro-1H-indol-2-yl]-3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 104899275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).