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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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).