1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

C11H17N5O2S — CID 91842487

IUPAC1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCCc1nc(CN(C)Cc2nc(CSC)no2)no1
InChIInChI=1S/C11H17N5O2S/c1-4-10-12-8(14-17-10)5-16(2)6-11-13-9(7-19-3)15-18-11/h4-7H2,1-3H3
InChIKeyLIMJUUXFUKUULH-UHFFFAOYSA-N
MW283.36 g/mol
LogP1.51
Rot. Bonds7

About 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 91842487) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID91842487
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCCc1nc(CN(C)Cc2nc(CSC)no2)no1
InChIInChI=1S/C11H17N5O2S/c1-4-10-12-8(14-17-10)5-16(2)6-11-13-9(7-19-3)15-18-11/h4-7H2,1-3H3
InChIKeyLIMJUUXFUKUULH-UHFFFAOYSA-N
XLogP1.51
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 91832326
(2R)-3-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propane-1,2-diol
CID 124755326
N'-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687933
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86855936
N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-quinolin-3-ylmethanamine
CID 91839982
N,N-dimethyl-2-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide
CID 91843160
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 91836954
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-2-methylpropan-1-ol
CID 115638140
[3-[[(4-ethylphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750487
1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62694731
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442230
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 51075896

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 91842487) is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is CCc1nc(CN(C)Cc2nc(CSC)no2)no1.
What is the InChIKey of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is LIMJUUXFUKUULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-4-10-12-8(14-17-10)5-16(2)6-11-13-9(7-19-3)15-18-11/h4-7H2,1-3H3.
What are the key properties of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine?
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 283.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 91842487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).