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

C19H19N3O3S — CID 24819932

IUPAC2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(Cc2nnc(SCC(=O)N(C)c3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O3S/c1-22(15-6-4-3-5-7-15)18(23)13-26-19-21-20-17(25-19)12-14-8-10-16(24-2)11-9-14/h3-11H,12-13H2,1-2H3
InChIKeyBDCDFCKLWKGZLL-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.42
Rot. Bonds7

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

2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide (PubChem CID 24819932) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide
PubChem CID24819932
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(Cc2nnc(SCC(=O)N(C)c3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O3S/c1-22(15-6-4-3-5-7-15)18(23)13-26-19-21-20-17(25-19)12-14-8-10-16(24-2)11-9-14/h3-11H,12-13H2,1-2H3
InChIKeyBDCDFCKLWKGZLL-UHFFFAOYSA-N
XLogP3.42
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide (CID 24819932) is 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide is COc1ccc(Cc2nnc(SCC(=O)N(C)c3ccccc3)o2)cc1.
What is the InChIKey of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide?
The InChIKey is BDCDFCKLWKGZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-22(15-6-4-3-5-7-15)18(23)13-26-19-21-20-17(25-19)12-14-8-10-16(24-2)11-9-14/h3-11H,12-13H2,1-2H3.
What are the key properties of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide?
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylacetamide has a molecular weight of 369.45 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 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-methyl-N-phenylacetamide is sourced from PubChem (CID 24819932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).