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

C21H24N4O3S — CID 56511534

IUPAC4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCc1nc(-c2ccsc2)no1
InChIInChI=1S/C21H24N4O3S/c1-4-25(13-15-5-7-16(8-6-15)21(27)24(2)3)19(26)10-9-18-22-20(23-28-18)17-11-12-29-14-17/h5-8,11-12,14H,4,9-10,13H2,1-3H3
InChIKeyBAOCGMOOOFZIFX-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.48
Rot. Bonds8

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

4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 56511534) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID56511534
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCc1nc(-c2ccsc2)no1
InChIInChI=1S/C21H24N4O3S/c1-4-25(13-15-5-7-16(8-6-15)21(27)24(2)3)19(26)10-9-18-22-20(23-28-18)17-11-12-29-14-17/h5-8,11-12,14H,4,9-10,13H2,1-3H3
InChIKeyBAOCGMOOOFZIFX-UHFFFAOYSA-N
XLogP3.48
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide with MolForge

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Related Compounds

N-methyl-4-[[methyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]benzamide
CID 8967841
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111596432
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18118904
N-(3-aminopropyl)-N-benzyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 120649291
N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18090611
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18117129
N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 53047532
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18112198
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 40711973
N-ethyl-3-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 8836343
4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 43627834
2-[2-(dimethylamino)ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 107425703

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide (CID 56511534) is 4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)CCc1nc(-c2ccsc2)no1.
What is the InChIKey of 4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is BAOCGMOOOFZIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-4-25(13-15-5-7-16(8-6-15)21(27)24(2)3)19(26)10-9-18-22-20(23-28-18)17-11-12-29-14-17/h5-8,11-12,14H,4,9-10,13H2,1-3H3.
What are the key properties of 4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide?
4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 412.52 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 56511534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).