N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide

C15H26N4O2S — CID 71915762

IUPACN-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide
SMILESCCSC(C)c1noc(CN(C)CC(=O)N(C)CC2CC2)n1
InChIInChI=1S/C15H26N4O2S/c1-5-22-11(2)15-16-13(21-17-15)9-18(3)10-14(20)19(4)8-12-6-7-12/h11-12H,5-10H2,1-4H3
InChIKeyZWRIGWNPKDXISH-UHFFFAOYSA-N
MW326.47 g/mol
LogP2.18
Rot. Bonds9

About N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide

N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide (PubChem CID 71915762) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide
PubChem CID71915762
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide
SMILESCCSC(C)c1noc(CN(C)CC(=O)N(C)CC2CC2)n1
InChIInChI=1S/C15H26N4O2S/c1-5-22-11(2)15-16-13(21-17-15)9-18(3)10-14(20)19(4)8-12-6-7-12/h11-12H,5-10H2,1-4H3
InChIKeyZWRIGWNPKDXISH-UHFFFAOYSA-N
XLogP2.18
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide (CID 71915762) is N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide is CCSC(C)c1noc(CN(C)CC(=O)N(C)CC2CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide?
The InChIKey is ZWRIGWNPKDXISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-5-22-11(2)15-16-13(21-17-15)9-18(3)10-14(20)19(4)8-12-6-7-12/h11-12H,5-10H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide?
N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide has a molecular weight of 326.47 g/mol, XLogP of 2.18, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[[3-(1-ethylsulfanylethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 71915762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).