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

C14H17N3O — CID 94815585

IUPAC3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1noc(CN2c3ccccc3C[C@@H]2C)n1
InChIInChI=1S/C14H17N3O/c1-3-13-15-14(18-16-13)9-17-10(2)8-11-6-4-5-7-12(11)17/h4-7,10H,3,8-9H2,1-2H3/t10-/m0/s1
InChIKeyWUESYMDBKGWEKW-JTQLQIEISA-N
MW243.31 g/mol
LogP2.58
Rot. Bonds3

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

3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 94815585) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID94815585
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1noc(CN2c3ccccc3C[C@@H]2C)n1
InChIInChI=1S/C14H17N3O/c1-3-13-15-14(18-16-13)9-17-10(2)8-11-6-4-5-7-12(11)17/h4-7,10H,3,8-9H2,1-2H3/t10-/m0/s1
InChIKeyWUESYMDBKGWEKW-JTQLQIEISA-N
XLogP2.58
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 25342936
5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 17400583
3-(2-methoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 25355481
3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 25336487
[3-[(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752190
[6-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-2-pyridinyl]methanamine
CID 106905554
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 62875526
2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole
CID 22199925
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 78789981
6-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]pyridin-3-ol
CID 82974598
5-[[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 155559084
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole (CID 94815585) is 3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole is CCc1noc(CN2c3ccccc3C[C@@H]2C)n1.
What is the InChIKey of 3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is WUESYMDBKGWEKW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-13-15-14(18-16-13)9-17-10(2)8-11-6-4-5-7-12(11)17/h4-7,10H,3,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole?
3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 243.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 94815585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).