5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole

C15H17N3O — CID 155520345

IUPAC5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
SMILESCCCCc1nc(Cc2c[nH]c3ccccc23)no1
InChIInChI=1S/C15H17N3O/c1-2-3-8-15-17-14(18-19-15)9-11-10-16-13-7-5-4-6-12(11)13/h4-7,10,16H,2-3,8-9H2,1H3
InChIKeyLXRGEOXLTLDUKU-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.48
Rot. Bonds5

About 5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole

5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 155520345) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID155520345
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
SMILESCCCCc1nc(Cc2c[nH]c3ccccc23)no1
InChIInChI=1S/C15H17N3O/c1-2-3-8-15-17-14(18-19-15)9-11-10-16-13-7-5-4-6-12(11)13/h4-7,10,16H,2-3,8-9H2,1H3
InChIKeyLXRGEOXLTLDUKU-UHFFFAOYSA-N
XLogP3.48
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Trimethyl-[[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]azanium iodide
CID 9978162
(2S)-2-[3-(1-dodecylindol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 161707308
(2S)-2-[3-(1-decylindol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 161868734
3-(1H-indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 42571591
3-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 16375975
3-(1H-indol-3-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 17396737
3-(1H-indol-3-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 17405892
4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide
CID 24818294
3-(1-Methylindol-3-yl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
CID 9818162
N,N-dimethyl-1-[3-(1-methyl-3-indolyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 9921349
2-[5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
CID 9996008
2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10067088

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole (CID 155520345) is 5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole is CCCCc1nc(Cc2c[nH]c3ccccc23)no1.
What is the InChIKey of 5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is LXRGEOXLTLDUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-3-8-15-17-14(18-19-15)9-11-10-16-13-7-5-4-6-12(11)13/h4-7,10,16H,2-3,8-9H2,1H3.
What are the key properties of 5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole?
5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 255.32 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 155520345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).