N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide

C18H20N4O2S — CID 9125681

IUPACN-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)[C@H](C)c2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C18H20N4O2S/c1-12(17-20-21-18(24-17)15-5-4-10-25-15)22(3)11-13-6-8-14(9-7-13)16(23)19-2/h4-10,12H,11H2,1-3H3,(H,19,23)/t12-/m1/s1
InChIKeyRACYBAPDBBIKMV-GFCCVEGCSA-N
MW356.45 g/mol
LogP3.35
Rot. Bonds6

About N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide (PubChem CID 9125681) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide
PubChem CID9125681
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)[C@H](C)c2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C18H20N4O2S/c1-12(17-20-21-18(24-17)15-5-4-10-25-15)22(3)11-13-6-8-14(9-7-13)16(23)19-2/h4-10,12H,11H2,1-3H3,(H,19,23)/t12-/m1/s1
InChIKeyRACYBAPDBBIKMV-GFCCVEGCSA-N
XLogP3.35
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9046854
4-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]butan-2-ol
CID 111488736
(1R)-N-[(2-chlorophenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9042861
(1S)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9055741
(1R)-N-[2-(4-fluorophenyl)ethyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 95157002
N-methyl-4-[[methyl-[(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide
CID 36742051
N-(2-ethylphenyl)-2-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]acetamide
CID 18197537
(1S)-N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9042506
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 17392897
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 38744450
(1S)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 8805811
N-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78827467

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide (CID 9125681) is N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)[C@H](C)c2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide?
The InChIKey is RACYBAPDBBIKMV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12(17-20-21-18(24-17)15-5-4-10-25-15)22(3)11-13-6-8-14(9-7-13)16(23)19-2/h4-10,12H,11H2,1-3H3,(H,19,23)/t12-/m1/s1.
What are the key properties of N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide has a molecular weight of 356.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 9125681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).