N-(2-phenylethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C16H15N3O2S — CID 53161967

IUPACN-(2-phenylethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Cc1nnc(-c2cccs2)o1)NCCc1ccccc1
InChIInChI=1S/C16H15N3O2S/c20-14(17-9-8-12-5-2-1-3-6-12)11-15-18-19-16(21-15)13-7-4-10-22-13/h1-7,10H,8-9,11H2,(H,17,20)
InChIKeyZERIVZGNPBWNSB-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.70
Rot. Bonds6

About N-(2-phenylethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide

N-(2-phenylethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 53161967) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID53161967
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(2-phenylethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESO=C(Cc1nnc(-c2cccs2)o1)NCCc1ccccc1
InChIInChI=1S/C16H15N3O2S/c20-14(17-9-8-12-5-2-1-3-6-12)11-15-18-19-16(21-15)13-7-4-10-22-13/h1-7,10H,8-9,11H2,(H,17,20)
InChIKeyZERIVZGNPBWNSB-UHFFFAOYSA-N
XLogP2.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3,5-Dimethyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-thiophen-2-ylmethyl-acetamide
CID 646769
N-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2998244
2-(2-Phenylvinyl)-5-(2-thienyl)-1,3,4-oxadiazole
CID 5866333
2-(4-Fluorophenyl)-1-(3-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)ethanone
CID 44067667
(2,4-Difluorophenyl)(3-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 44067684
(3,4-Difluorophenyl)(3-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 44067685
2-(5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl)-N-(4-(methylthio)benzyl)acetamide
CID 52906330
2-((4-Fluorophenyl)thio)-1-(3-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)ethanone
CID 72717118
2-(p-fluorophenyl)-1-[(S)-3-[5-(3-thienyl)-1,3,4-oxadiazol-2-yl]-1-piperidyl]-1-ethanone
CID 97426984
2-fluoro-N-((5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)methyl)benzamide
CID 110322286
2,6-difluoro-N-((5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)methyl)benzamide
CID 162506097
[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl][(thiophen-2-yl)methyl]amine
CID 1091728

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-(2-phenylethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 53161967) is N-(2-phenylethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-(2-phenylethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide is O=C(Cc1nnc(-c2cccs2)o1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is ZERIVZGNPBWNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-14(17-9-8-12-5-2-1-3-6-12)11-15-18-19-16(21-15)13-7-4-10-22-13/h1-7,10H,8-9,11H2,(H,17,20).
What are the key properties of N-(2-phenylethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-(2-phenylethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 313.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 53161967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).