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

C14H17N3O2S — CID 91789712

IUPACN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C14H17N3O2S/c1-20-10-13(18)15-8-7-14-16-12(17-19-14)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,18)
InChIKeyKCEGEAKDABDXMM-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.68
Rot. Bonds7

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

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylsulfanylacetamide (PubChem CID 91789712) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylsulfanylacetamide
PubChem CID91789712
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C14H17N3O2S/c1-20-10-13(18)15-8-7-14-16-12(17-19-14)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,18)
InChIKeyKCEGEAKDABDXMM-UHFFFAOYSA-N
XLogP1.68
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylsulfanylacetamide (CID 91789712) is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylsulfanylacetamide is CSCC(=O)NCCc1nc(Cc2ccccc2)no1.
What is the InChIKey of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylsulfanylacetamide?
The InChIKey is KCEGEAKDABDXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-20-10-13(18)15-8-7-14-16-12(17-19-14)9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,18).
What are the key properties of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylsulfanylacetamide?
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylsulfanylacetamide has a molecular weight of 291.38 g/mol, XLogP of 1.68, 7 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]-2-methylsulfanylacetamide is sourced from PubChem (CID 91789712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).