2-benzylsulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide

C18H17N3O3S — CID 52904170

IUPAC2-benzylsulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1nnc(COc2ccccc2)o1
InChIInChI=1S/C18H17N3O3S/c22-16(13-25-12-14-7-3-1-4-8-14)19-18-21-20-17(24-18)11-23-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,21,22)
InChIKeyAJWGPPVBEMCAFO-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.52
Rot. Bonds8

About 2-benzylsulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide

2-benzylsulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 52904170) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID52904170
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-benzylsulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1nnc(COc2ccccc2)o1
InChIInChI=1S/C18H17N3O3S/c22-16(13-25-12-14-7-3-1-4-8-14)19-18-21-20-17(24-18)11-23-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,21,22)
InChIKeyAJWGPPVBEMCAFO-UHFFFAOYSA-N
XLogP3.52
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 654637
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-(5-o-tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 656178
2-(2-methylphenoxy)-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2203190
2-phenoxy-N-(5-((phenylthio)methyl)-1,3,4-oxadiazol-2-yl)acetamide
CID 41613169
3-((4-chlorophenyl)thio)-N-(5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl)propanamide
CID 52904189
2-phenoxy-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16487460
2-[(4-Fluorophenoxy)methyl]-5-(2-phenylethylsulfanylmethyl)-1,3,4-oxadiazole
CID 166559562
2-(2-fluorophenoxy)-N-(5-(4-(isopropylthio)benzyl)-1,3,4-oxadiazol-2-yl)acetamide
CID 43974512
2-(4-fluorophenoxy)-N-(5-(4-(isopropylthio)benzyl)-1,3,4-oxadiazol-2-yl)acetamide
CID 43974513
N-(5-{[4-(ethylsulfanyl)phenyl]methyl}-1,3,4-oxadiazol-2-yl)-2-(2-fluorophenoxy)acetamide
CID 43975327
N-(5-(4-(ethylthio)benzyl)-1,3,4-oxadiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 43975328
2-((4-fluorophenyl)thio)-N-(5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl)acetamide
CID 52904180

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 52904170) is 2-benzylsulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide is O=C(CSCc1ccccc1)Nc1nnc(COc2ccccc2)o1.
What is the InChIKey of 2-benzylsulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is AJWGPPVBEMCAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c22-16(13-25-12-14-7-3-1-4-8-14)19-18-21-20-17(24-18)11-23-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,21,22).
What are the key properties of 2-benzylsulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-benzylsulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 52904170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).