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

C15H17N3OS — CID 80620238

IUPAC5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)NCC2Cc1nc(C2CCCS2)no1
InChIInChI=1S/C15H17N3OS/c1-2-5-12-11(4-1)10(9-16-12)8-14-17-15(18-19-14)13-6-3-7-20-13/h1-2,4-5,10,13,16H,3,6-9H2
InChIKeyPITUSEMAZFATLI-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.39
Rot. Bonds3

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

5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole (PubChem CID 80620238) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
PubChem CID80620238
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)NCC2Cc1nc(C2CCCS2)no1
InChIInChI=1S/C15H17N3OS/c1-2-5-12-11(4-1)10(9-16-12)8-14-17-15(18-19-14)13-6-3-7-20-13/h1-2,4-5,10,13,16H,3,6-9H2
InChIKeyPITUSEMAZFATLI-UHFFFAOYSA-N
XLogP3.39
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(oxan-3-yl)-1,2,4-oxadiazole
CID 80575396
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 80577038
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-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 80575398
N-cyclopropyl-5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102791072
2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740996
1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine
CID 80577248
5-(1,2,3,4-tetrahydroquinolin-3-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 106902692
5-(piperidin-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 80620996
2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 80620260
1-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 80639242
[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 80620872

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole (CID 80620238) is 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole is c1ccc2c(c1)NCC2Cc1nc(C2CCCS2)no1.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole?
The InChIKey is PITUSEMAZFATLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-2-5-12-11(4-1)10(9-16-12)8-14-17-15(18-19-14)13-6-3-7-20-13/h1-2,4-5,10,13,16H,3,6-9H2.
What are the key properties of 5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole has a molecular weight of 287.39 g/mol, XLogP of 3.39, 3 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-(thiolan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 80620238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).