2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide

C20H21N3O3S — CID 1326340

IUPAC2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(Cc2nnc(SCC(=O)NCCc3ccccc3)o2)cc1
InChIInChI=1S/C20H21N3O3S/c1-25-17-9-7-16(8-10-17)13-19-22-23-20(26-19)27-14-18(24)21-12-11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyIMIZTPSYKGYSLQ-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.12
Rot. Bonds9

About 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide

2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 1326340) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID1326340
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(Cc2nnc(SCC(=O)NCCc3ccccc3)o2)cc1
InChIInChI=1S/C20H21N3O3S/c1-25-17-9-7-16(8-10-17)13-19-22-23-20(26-19)27-14-18(24)21-12-11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyIMIZTPSYKGYSLQ-UHFFFAOYSA-N
XLogP3.12
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
CID 663604
1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-[5-(4-methoxy-benzyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-ethanone
CID 656148
N-cyclohexyl-2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 697202
N-Cyclopentyl-2-[5-(4-methoxy-benzyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 856652
2-[5-(4-Methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-phenethyl-acetamide
CID 1073178
2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide
CID 2920510
2-({5-[(4-Methoxyphenyl)methyl]-1,3,4-oxadiazol-2-YL}sulfanyl)-1-(3-methylpiperidin-1-YL)ethanone
CID 3188548
N-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205235
N-[2-(3-methoxyphenyl)ethyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 168278422
2-({5-[3-(4-Methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetohydrazide
CID 4399412
N-cyclohexyl-2-{[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 2155715
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 2937741

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide (CID 1326340) is 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide is COc1ccc(Cc2nnc(SCC(=O)NCCc3ccccc3)o2)cc1.
What is the InChIKey of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is IMIZTPSYKGYSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-25-17-9-7-16(8-10-17)13-19-22-23-20(26-19)27-14-18(24)21-12-11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,21,24).
What are the key properties of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide?
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1326340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).