5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C16H15N3OS — CID 99626994

IUPAC5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESC[C@@H](c1nc(-c2cccs2)no1)N1CCc2ccccc21
InChIInChI=1S/C16H15N3OS/c1-11(19-9-8-12-5-2-3-6-13(12)19)16-17-15(18-20-16)14-7-4-10-21-14/h2-7,10-11H,8-9H2,1H3/t11-/m0/s1
InChIKeyDJRZEUZXPZUTTF-NSHDSACASA-N
MW297.38 g/mol
LogP3.92
Rot. Bonds3

About 5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 99626994) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID99626994
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESC[C@@H](c1nc(-c2cccs2)no1)N1CCc2ccccc21
InChIInChI=1S/C16H15N3OS/c1-11(19-9-8-12-5-2-3-6-13(12)19)16-17-15(18-20-16)14-7-4-10-21-14/h2-7,10-11H,8-9H2,1H3/t11-/m0/s1
InChIKeyDJRZEUZXPZUTTF-NSHDSACASA-N
XLogP3.92
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[1-(4-phenylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51113619
1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 110887633
5-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95153364
(2S,6S)-2,6-dimethyl-4-[(1R)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 98950692
(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
(3S,4R)-4-phenyl-1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 120760924
(2R)-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol
CID 111488051
2-amino-1-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119868196
5-[1-[4-(4-methyl-2-nitrophenyl)piperazin-1-yl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 133389685
(1-aminocyclopropyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119868166
[(2R)-piperidin-2-yl]-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 119868171
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 99626994) is 5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is C[C@@H](c1nc(-c2cccs2)no1)N1CCc2ccccc21.
What is the InChIKey of 5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is DJRZEUZXPZUTTF-NSHDSACASA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11(19-9-8-12-5-2-3-6-13(12)19)16-17-15(18-20-16)14-7-4-10-21-14/h2-7,10-11H,8-9H2,1H3/t11-/m0/s1.
What are the key properties of 5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 297.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(2,3-dihydroindol-1-yl)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 99626994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).