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

C17H16N4O — CID 17400583

IUPAC5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCC1Cc2ccccc2N1Cc1nc(-c2cccnc2)no1
InChIInChI=1S/C17H16N4O/c1-12-9-13-5-2-3-7-15(13)21(12)11-16-19-17(20-22-16)14-6-4-8-18-10-14/h2-8,10,12H,9,11H2,1H3
InChIKeyGWYFXCRDBJSNHZ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.08
Rot. Bonds3

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

5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 17400583) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID17400583
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCC1Cc2ccccc2N1Cc1nc(-c2cccnc2)no1
InChIInChI=1S/C17H16N4O/c1-12-9-13-5-2-3-7-15(13)21(12)11-16-19-17(20-22-16)14-6-4-8-18-10-14/h2-8,10,12H,9,11H2,1H3
InChIKeyGWYFXCRDBJSNHZ-UHFFFAOYSA-N
XLogP3.08
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 25342936
3-(3,4-dimethoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 25336487
3-ethyl-5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 94815585
3-(2-methoxyphenyl)-5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]methyl]-1,2,4-oxadiazole
CID 25355481
5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100675540
5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95315795
(6R)-2,2,6-trimethyl-4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95586182
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
4-amino-1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
CID 168700333
(2R)-1-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 25355714
5-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56825307
5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95570862

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 17400583) is 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is CC1Cc2ccccc2N1Cc1nc(-c2cccnc2)no1.
What is the InChIKey of 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is GWYFXCRDBJSNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-12-9-13-5-2-3-7-15(13)21(12)11-16-19-17(20-22-16)14-6-4-8-18-10-14/h2-8,10,12H,9,11H2,1H3.
What are the key properties of 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 292.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 17400583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).