N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide

C17H17N3O3S — CID 110335290

IUPACN-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C17H17N3O3S/c1-2-22-13-7-5-12(6-8-13)18-15(21)9-10-16-19-20-17(23-16)14-4-3-11-24-14/h3-8,11H,2,9-10H2,1H3,(H,18,21)
InChIKeyNEKNRIPPDYMMSO-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.77
Rot. Bonds7

About N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide

N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 110335290) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID110335290
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C17H17N3O3S/c1-2-22-13-7-5-12(6-8-13)18-15(21)9-10-16-19-20-17(23-16)14-4-3-11-24-14/h3-8,11H,2,9-10H2,1H3,(H,18,21)
InChIKeyNEKNRIPPDYMMSO-UHFFFAOYSA-N
XLogP3.77
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335310
N-(3-bromo-4-methylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335285
4-ethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322547
N-(4-ethoxyphenyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879514
N-cyclopropyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335163
1-(4-ethoxyphenyl)-N-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 78789886
ethyl 4-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 110335223
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CID 110330322
[2-(4-methoxyanilino)-2-oxoethyl]-(2-methoxyethyl)-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 9375255
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 30159568
N-(4-ethoxyphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2243182
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 110335290) is N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide is CCOc1ccc(NC(=O)CCc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is NEKNRIPPDYMMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-2-22-13-7-5-12(6-8-13)18-15(21)9-10-16-19-20-17(23-16)14-4-3-11-24-14/h3-8,11H,2,9-10H2,1H3,(H,18,21).
What are the key properties of N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 343.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 110335290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).