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

C19H20N4O3S — CID 8967841

IUPACN-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)CCc2nc(-c3ccsc3)no2)cc1
InChIInChI=1S/C19H20N4O3S/c1-20-19(25)14-5-3-13(4-6-14)11-23(2)17(24)8-7-16-21-18(22-26-16)15-9-10-27-12-15/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,20,25)
InChIKeyPOOPUCCEDZKURM-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.75
Rot. Bonds7

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

N-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide (PubChem CID 8967841) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide
PubChem CID8967841
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)CCc2nc(-c3ccsc3)no2)cc1
InChIInChI=1S/C19H20N4O3S/c1-20-19(25)14-5-3-13(4-6-14)11-23(2)17(24)8-7-16-21-18(22-26-16)15-9-10-27-12-15/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,20,25)
InChIKeyPOOPUCCEDZKURM-UHFFFAOYSA-N
XLogP2.75
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511534
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18117129
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18112198
N-(3-aminopropyl)-N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120649291
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 40711973
N-methyl-N-(thiophen-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18117389
N-benzyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46537162
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18118904
methyl 4-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl-methylamino]methyl]benzoate
CID 37415048
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111596432
N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18090611
methyl 4-[[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl-methylamino]methyl]benzoate
CID 37411312

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide (CID 8967841) is N-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)C(=O)CCc2nc(-c3ccsc3)no2)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide?
The InChIKey is POOPUCCEDZKURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-20-19(25)14-5-3-13(4-6-14)11-23(2)17(24)8-7-16-21-18(22-26-16)15-9-10-27-12-15/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,20,25).
What are the key properties of N-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide has a molecular weight of 384.46 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide is sourced from PubChem (CID 8967841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).