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

C13H15N3O3S — CID 864822

IUPAC2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCc1ccc(OCc2nnc(SCC(N)=O)o2)cc1
InChIInChI=1S/C13H15N3O3S/c1-2-9-3-5-10(6-4-9)18-7-12-15-16-13(19-12)20-8-11(14)17/h3-6H,2,7-8H2,1H3,(H2,14,17)
InChIKeyYDRMBRXOLTWBGQ-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.79
Rot. Bonds7

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

2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 864822) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID864822
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCc1ccc(OCc2nnc(SCC(N)=O)o2)cc1
InChIInChI=1S/C13H15N3O3S/c1-2-9-3-5-10(6-4-9)18-7-12-15-16-13(19-12)20-8-11(14)17/h3-6H,2,7-8H2,1H3,(H2,14,17)
InChIKeyYDRMBRXOLTWBGQ-UHFFFAOYSA-N
XLogP1.79
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 864822) is 2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCc1ccc(OCc2nnc(SCC(N)=O)o2)cc1.
What is the InChIKey of 2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is YDRMBRXOLTWBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-2-9-3-5-10(6-4-9)18-7-12-15-16-13(19-12)20-8-11(14)17/h3-6H,2,7-8H2,1H3,(H2,14,17).
What are the key properties of 2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 293.35 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 864822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).