5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole

C13H15N3OS — CID 80577038

IUPAC5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCSCc1noc(CC2CNc3ccccc32)n1
InChIInChI=1S/C13H15N3OS/c1-18-8-12-15-13(17-16-12)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,9,14H,6-8H2,1H3
InChIKeyGGBMKNSUEPTDFG-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.68
Rot. Bonds4

About 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole

5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 80577038) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID80577038
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
SMILESCSCc1noc(CC2CNc3ccccc32)n1
InChIInChI=1S/C13H15N3OS/c1-18-8-12-15-13(17-16-12)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,9,14H,6-8H2,1H3
InChIKeyGGBMKNSUEPTDFG-UHFFFAOYSA-N
XLogP2.68
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine
CID 80577248
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 80575398
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 80575366
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 80620238
5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791409
2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-2H-1,4-benzoxazine
CID 62694726
N-cyclopropyl-5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102791072
5-benzyl-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 56648390
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
4-[[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 138021550
2-(2,3-dihydro-1H-indol-3-ylmethyl)-5-fluoro-1,3-benzoxazole
CID 80575377
3-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indole
CID 22037969

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole (CID 80577038) is 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole is CSCc1noc(CC2CNc3ccccc32)n1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is GGBMKNSUEPTDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-18-8-12-15-13(17-16-12)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,9,14H,6-8H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 261.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 80577038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).