N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C19H21N3O3S — CID 134054629

IUPACN-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCc1nc(-c2cccs2)no1
InChIInChI=1S/C19H21N3O3S/c1-13(14-7-4-5-8-15(14)24-3)22(2)18(23)11-10-17-20-19(21-25-17)16-9-6-12-26-16/h4-9,12-13H,10-11H2,1-3H3
InChIKeyKVHLYFFUMDGLPT-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.96
Rot. Bonds7

About N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 134054629) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID134054629
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccccc1C(C)N(C)C(=O)CCc1nc(-c2cccs2)no1
InChIInChI=1S/C19H21N3O3S/c1-13(14-7-4-5-8-15(14)24-3)22(2)18(23)11-10-17-20-19(21-25-17)16-9-6-12-26-16/h4-9,12-13H,10-11H2,1-3H3
InChIKeyKVHLYFFUMDGLPT-UHFFFAOYSA-N
XLogP3.96
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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2-[2-methoxyethyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
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N-pentan-2-yl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18089543
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111596630
N-methyl-N-(thiophen-3-ylmethyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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N-(3-aminobutyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 134054629) is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is COc1ccccc1C(C)N(C)C(=O)CCc1nc(-c2cccs2)no1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is KVHLYFFUMDGLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13(14-7-4-5-8-15(14)24-3)22(2)18(23)11-10-17-20-19(21-25-17)16-9-6-12-26-16/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 371.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 134054629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).