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

C17H17N3O2S — CID 4208137

IUPACN-(2-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCc1ccccc1NC(=O)CCc1nc(-c2cccs2)no1
InChIInChI=1S/C17H17N3O2S/c1-2-12-6-3-4-7-13(12)18-15(21)9-10-16-19-17(20-22-16)14-8-5-11-23-14/h3-8,11H,2,9-10H2,1H3,(H,18,21)
InChIKeyUHNFMCXFSCHXQK-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.93
Rot. Bonds6

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

N-(2-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 4208137) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID4208137
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(2-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCc1ccccc1NC(=O)CCc1nc(-c2cccs2)no1
InChIInChI=1S/C17H17N3O2S/c1-2-12-6-3-4-7-13(12)18-15(21)9-10-16-19-17(20-22-16)14-8-5-11-23-14/h3-8,11H,2,9-10H2,1H3,(H,18,21)
InChIKeyUHNFMCXFSCHXQK-UHFFFAOYSA-N
XLogP3.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 4208137) is N-(2-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CCc1ccccc1NC(=O)CCc1nc(-c2cccs2)no1.
What is the InChIKey of N-(2-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is UHNFMCXFSCHXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-2-12-6-3-4-7-13(12)18-15(21)9-10-16-19-17(20-22-16)14-8-5-11-23-14/h3-8,11H,2,9-10H2,1H3,(H,18,21).
What are the key properties of N-(2-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 327.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 4208137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).