5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole

C20H26N4O — CID 18987407

IUPAC5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCCCCN1CCCC(c2nc(-c3cn(C)c4ccccc34)no2)C1
InChIInChI=1S/C20H26N4O/c1-3-4-11-24-12-7-8-15(13-24)20-21-19(22-25-20)17-14-23(2)18-10-6-5-9-16(17)18/h5-6,9-10,14-15H,3-4,7-8,11-13H2,1-2H3
InChIKeyAQUDFGFBDBREER-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.21
Rot. Bonds5

About 5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole

5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (PubChem CID 18987407) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
PubChem CID18987407
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
SMILESCCCCN1CCCC(c2nc(-c3cn(C)c4ccccc34)no2)C1
InChIInChI=1S/C20H26N4O/c1-3-4-11-24-12-7-8-15(13-24)20-21-19(22-25-20)17-14-23(2)18-10-6-5-9-16(17)18/h5-6,9-10,14-15H,3-4,7-8,11-13H2,1-2H3
InChIKeyAQUDFGFBDBREER-UHFFFAOYSA-N
XLogP4.21
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylindol-3-yl)-5-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 14810796
2-[3-(1-undecylindol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
CID 121257008
2-[3-(1-octylindol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
CID 131965195
3-(1-dodecylindol-3-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 161411022
5-[(1R,6S)-2-azabicyclo[2.2.2]octan-6-yl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 57069743
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-ylmethyl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 70131273
4-(1-methylindol-3-yl)-1-[(3S)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 92566868
4-(1-methylindol-3-yl)-1-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 110235477
1-[1-methyl-5-[[(3R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrrol-3-yl]ethanone
CID 99961813
3-(1-methylindol-3-yl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 18987424
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]hexan-1-one
CID 4037944
5-(1-butylpiperidin-4-yl)-3-(2-ethyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazole
CID 90229015

Frequently Asked Questions

What is the IUPAC name of 5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole (CID 18987407) is 5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is CCCCN1CCCC(c2nc(-c3cn(C)c4ccccc34)no2)C1.
What is the InChIKey of 5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
The InChIKey is AQUDFGFBDBREER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-4-11-24-12-7-8-15(13-24)20-21-19(22-25-20)17-14-23(2)18-10-6-5-9-16(17)18/h5-6,9-10,14-15H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of 5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole?
5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole has a molecular weight of 338.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butylpiperidin-3-yl)-3-(1-methylindol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 18987407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).