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

C19H19N3O3S — CID 2912407

IUPACN-benzyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(OCc2nnc(SCC(=O)NCc3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O3S/c1-14-7-9-16(10-8-14)24-12-18-21-22-19(25-18)26-13-17(23)20-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyVXIJTWFDZIEJJH-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.37
Rot. Bonds8

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

N-benzyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2912407) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-benzyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID2912407
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-benzyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(OCc2nnc(SCC(=O)NCc3ccccc3)o2)cc1
InChIInChI=1S/C19H19N3O3S/c1-14-7-9-16(10-8-14)24-12-18-21-22-19(25-18)26-13-17(23)20-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyVXIJTWFDZIEJJH-UHFFFAOYSA-N
XLogP3.37
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 2912407) is N-benzyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is Cc1ccc(OCc2nnc(SCC(=O)NCc3ccccc3)o2)cc1.
What is the InChIKey of N-benzyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is VXIJTWFDZIEJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-14-7-9-16(10-8-14)24-12-18-21-22-19(25-18)26-13-17(23)20-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,23).
What are the key properties of N-benzyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-benzyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 369.45 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2912407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).