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

C17H17N3O3S — CID 110324143

IUPACN-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1cccc(-c2noc(CCNC(=O)Cc3cccs3)n2)c1
InChIInChI=1S/C17H17N3O3S/c1-22-13-5-2-4-12(10-13)17-19-16(23-20-17)7-8-18-15(21)11-14-6-3-9-24-14/h2-6,9-10H,7-8,11H2,1H3,(H,18,21)
InChIKeyRCIUWKIAVPGPLQ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.71
Rot. Bonds7

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

N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 110324143) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide
PubChem CID110324143
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESCOc1cccc(-c2noc(CCNC(=O)Cc3cccs3)n2)c1
InChIInChI=1S/C17H17N3O3S/c1-22-13-5-2-4-12(10-13)17-19-16(23-20-17)7-8-18-15(21)11-14-6-3-9-24-14/h2-6,9-10H,7-8,11H2,1H3,(H,18,21)
InChIKeyRCIUWKIAVPGPLQ-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 110324159
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 110324148
N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 100634154
N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-thiophen-2-ylacetamide
CID 110293651
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760289
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
3-methoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 110293645
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(thiophen-2-ylmethylsulfamoyl)benzoate
CID 55476538
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpropanamide
CID 100760326
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
CID 3723670
2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110324222

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide (CID 110324143) is N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide is COc1cccc(-c2noc(CCNC(=O)Cc3cccs3)n2)c1.
What is the InChIKey of N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is RCIUWKIAVPGPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-22-13-5-2-4-12(10-13)17-19-16(23-20-17)7-8-18-15(21)11-14-6-3-9-24-14/h2-6,9-10H,7-8,11H2,1H3,(H,18,21).
What are the key properties of N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 343.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110324143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).