N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide

C15H19N3O2S — CID 118781230

IUPACN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C15H19N3O2S/c1-21-10-8-14(19)16-9-7-15-17-13(18-20-15)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,19)
InChIKeyGRKDQYCZYFLPBS-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.07
Rot. Bonds8

About N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide (PubChem CID 118781230) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide
PubChem CID118781230
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C15H19N3O2S/c1-21-10-8-14(19)16-9-7-15-17-13(18-20-15)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,19)
InChIKeyGRKDQYCZYFLPBS-UHFFFAOYSA-N
XLogP2.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-imidazol-1-ylacetamide
CID 91784327
(2S)-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-dioxane-2-carboxamide
CID 125172158
(3S)-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97109601
(3S)-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 97119837
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,5-difluorobenzamide
CID 91763292
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 146126326
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152030
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70770521
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxamide;dihydrochloride
CID 154901382
(3S)-3-N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1,3-dicarboxamide
CID 97155010
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70753464
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 90652660

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide (CID 118781230) is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide is CSCCC(=O)NCCc1nc(Cc2ccccc2)no1.
What is the InChIKey of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide?
The InChIKey is GRKDQYCZYFLPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-21-10-8-14(19)16-9-7-15-17-13(18-20-15)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,16,19).
What are the key properties of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide?
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide has a molecular weight of 305.40 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 118781230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).