N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride

C18H21ClN4O2S — CID 119439388

IUPACN-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CCc1nc(-c2ccsc2)no1.Cl
InChIInChI=1S/C18H20N4O2S.ClH/c1-2-19-11-13-5-3-4-6-15(13)20-16(23)7-8-17-21-18(22-24-17)14-9-10-25-12-14;/h3-6,9-10,12,19H,2,7-8,11H2,1H3,(H,20,23);1H
InChIKeyDFQCRZGTWHWLEJ-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.90
Rot. Bonds8

About N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride (PubChem CID 119439388) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
PubChem CID119439388
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CCc1nc(-c2ccsc2)no1.Cl
InChIInChI=1S/C18H20N4O2S.ClH/c1-2-19-11-13-5-3-4-6-15(13)20-16(23)7-8-17-21-18(22-24-17)14-9-10-25-12-14;/h3-6,9-10,12,19H,2,7-8,11H2,1H3,(H,20,23);1H
InChIKeyDFQCRZGTWHWLEJ-UHFFFAOYSA-N
XLogP3.90
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylsulfanylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17465065
N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119438806
N-[2-(difluoromethylsulfanyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26708441
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 27298651
N-(2,5-dimethylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17450335
N-[2-(ethylaminomethyl)phenyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119440771
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[2-(thiophen-2-ylsulfonylamino)phenyl]propanamide
CID 30885633
N-(4-iodo-2-methylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134049053
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119046565
N-(4-acetyl-1,3-thiazol-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17442927
N-(4-iodophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17486628
N-pyridin-3-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 27165067

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride (CID 119439388) is N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride is CCNCc1ccccc1NC(=O)CCc1nc(-c2ccsc2)no1.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
The InChIKey is DFQCRZGTWHWLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S.ClH/c1-2-19-11-13-5-3-4-6-15(13)20-16(23)7-8-17-21-18(22-24-17)14-9-10-25-12-14;/h3-6,9-10,12,19H,2,7-8,11H2,1H3,(H,20,23);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride has a molecular weight of 392.91 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride is sourced from PubChem (CID 119439388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).