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

C17H17N3O2S — CID 110322181

IUPACN-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide
SMILESCc1nnc(C(Cc2ccccc2)NC(=O)Cc2cccs2)o1
InChIInChI=1S/C17H17N3O2S/c1-12-19-20-17(22-12)15(10-13-6-3-2-4-7-13)18-16(21)11-14-8-5-9-23-14/h2-9,15H,10-11H2,1H3,(H,18,21)
InChIKeyICLKLLLDPDXYPA-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.08
Rot. Bonds6

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

N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide (PubChem CID 110322181) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide
PubChem CID110322181
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide
SMILESCc1nnc(C(Cc2ccccc2)NC(=O)Cc2cccs2)o1
InChIInChI=1S/C17H17N3O2S/c1-12-19-20-17(22-12)15(10-13-6-3-2-4-7-13)18-16(21)11-14-8-5-9-23-14/h2-9,15H,10-11H2,1H3,(H,18,21)
InChIKeyICLKLLLDPDXYPA-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
CID 110322200
1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea
CID 110322216
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]thiophene-2-sulfonamide
CID 110322245
2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 110322168
2,6-dimethoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 110322176
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-1,3-benzodioxole-5-carboxamide
CID 110322203
2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 95099718
N-[3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)butyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 110307350
N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide
CID 113272323
N-[(2R)-2-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide
CID 95379088
N-benzhydryl-2-thiophen-2-ylacetamide
CID 785978
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide
CID 110322225

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide (CID 110322181) is N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide is Cc1nnc(C(Cc2ccccc2)NC(=O)Cc2cccs2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide?
The InChIKey is ICLKLLLDPDXYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-19-20-17(22-12)15(10-13-6-3-2-4-7-13)18-16(21)11-14-8-5-9-23-14/h2-9,15H,10-11H2,1H3,(H,18,21).
What are the key properties of N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide?
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide has a molecular weight of 327.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110322181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).