N-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C21H21N5O2 — CID 51308197

IUPACN-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)NCCCn1ccc2ccccc21
InChIInChI=1S/C21H21N5O2/c27-19(6-7-20-24-21(25-28-20)17-8-12-22-13-9-17)23-11-3-14-26-15-10-16-4-1-2-5-18(16)26/h1-2,4-5,8-10,12-13,15H,3,6-7,11,14H2,(H,23,27)
InChIKeyLKFCFAKLIFAFSN-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.23
Rot. Bonds8

About N-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 51308197) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID51308197
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)NCCCn1ccc2ccccc21
InChIInChI=1S/C21H21N5O2/c27-19(6-7-20-24-21(25-28-20)17-8-12-22-13-9-17)23-11-3-14-26-15-10-16-4-1-2-5-18(16)26/h1-2,4-5,8-10,12-13,15H,3,6-7,11,14H2,(H,23,27)
InChIKeyLKFCFAKLIFAFSN-UHFFFAOYSA-N
XLogP3.23
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-indol-1-ylpropyl)butanamide
CID 55649511
ethyl 4-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
CID 134024394
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 55494091
N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135441
N-[2-(4-fluorophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30210952
N-(3-indol-1-ylpropyl)-3-(4-methylphenyl)propanamide
CID 24554706
N-[2-(3-fluorophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30038853
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-propylpropanamide
CID 3159509
N-(3-imidazol-1-ylpropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51331174
N-(3-phenylprop-2-ynyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30292521
N-methylsulfonyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 146154109
N-[2-(2,4-dimethylphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 48670939

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 51308197) is N-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccncc2)no1)NCCCn1ccc2ccccc21.
What is the InChIKey of N-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is LKFCFAKLIFAFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-19(6-7-20-24-21(25-28-20)17-8-12-22-13-9-17)23-11-3-14-26-15-10-16-4-1-2-5-18(16)26/h1-2,4-5,8-10,12-13,15H,3,6-7,11,14H2,(H,23,27).
What are the key properties of N-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 375.43 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 51308197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).