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

C17H17N3O4S — CID 110322438

IUPAC3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C17H17N3O4S/c1-22-12-8-11(9-13(10-12)23-2)16(21)18-6-5-15-19-20-17(24-15)14-4-3-7-25-14/h3-4,7-10H,5-6H2,1-2H3,(H,18,21)
InChIKeyBZKJXBHBRWUQQT-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.79
Rot. Bonds7

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

3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (PubChem CID 110322438) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
PubChem CID110322438
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C17H17N3O4S/c1-22-12-8-11(9-13(10-12)23-2)16(21)18-6-5-15-19-20-17(24-15)14-4-3-7-25-14/h3-4,7-10H,5-6H2,1-2H3,(H,18,21)
InChIKeyBZKJXBHBRWUQQT-UHFFFAOYSA-N
XLogP2.79
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322294
N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110322424
phenyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110322484
benzyl N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110322483
2,6-dimethoxy-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110322296
3-methoxy-N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321720
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 110320949
2,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322519
4-tert-butyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321827
4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321819
3,5-dimethoxy-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 110660556
N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161971

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide (CID 110322438) is 3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is COc1cc(OC)cc(C(=O)NCCc2nnc(-c3cccs3)o2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
The InChIKey is BZKJXBHBRWUQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-22-12-8-11(9-13(10-12)23-2)16(21)18-6-5-15-19-20-17(24-15)14-4-3-7-25-14/h3-4,7-10H,5-6H2,1-2H3,(H,18,21).
What are the key properties of 3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide?
3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide has a molecular weight of 359.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 110322438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).