2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide

C15H16N4O2 — CID 53071580

IUPAC2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(-c2nnco2)c2ccccc21
InChIInChI=1S/C15H16N4O2/c1-2-7-16-14(20)9-19-8-12(15-18-17-10-21-15)11-5-3-4-6-13(11)19/h3-6,8,10H,2,7,9H2,1H3,(H,16,20)
InChIKeyTZWLNSWDZWNWME-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.22
Rot. Bonds5

About 2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide

2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide (PubChem CID 53071580) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide
PubChem CID53071580
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(-c2nnco2)c2ccccc21
InChIInChI=1S/C15H16N4O2/c1-2-7-16-14(20)9-19-8-12(15-18-17-10-21-15)11-5-3-4-6-13(11)19/h3-6,8,10H,2,7,9H2,1H3,(H,16,20)
InChIKeyTZWLNSWDZWNWME-UHFFFAOYSA-N
XLogP2.22
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1,3,4-oxadiazol-2-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 507901
1-Benzyl-N-(3,4-difluorobenzyl)-2-isopropyl-6-(1,3,4-oxadiazol-2-yl)-1H-indole-3-carboxamide
CID 59762338
N,N-Diethyl-2-[5-(1H-indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 858944
N-tert-Butyl-2-[5-(1H-indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 858948
[5-(1H-Indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid ethyl ester
CID 858960
3-(5-Ethylsulfanyl-[1,3,4]oxadiazol-2-yl)-1H-indole
CID 858964
2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 5201155
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 14810904
2-(1H-indol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 135908466
1-(2-Ethyl-piperidin-1-yl)-2-[5-(1H-indol-3-yl)-[1,3,4]oxadiazol-2-ylsulfanyl]-ethanone
CID 644615
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-[[2-(3-indolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]ethanone
CID 645250
1-Cyclohexylcarbamoylmethyl-1H-indole-3-carboxylic acid methyl ester
CID 645611

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide (CID 53071580) is 2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1cc(-c2nnco2)c2ccccc21.
What is the InChIKey of 2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide?
The InChIKey is TZWLNSWDZWNWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-7-16-14(20)9-19-8-12(15-18-17-10-21-15)11-5-3-4-6-13(11)19/h3-6,8,10H,2,7,9H2,1H3,(H,16,20).
What are the key properties of 2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide?
2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide has a molecular weight of 284.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide is sourced from PubChem (CID 53071580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).