N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide

C13H15N3O5S — CID 9188757

IUPACN-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide
SMILESCS(=O)(=O)c1nnc(CCNC(=O)COc2ccccc2)o1
InChIInChI=1S/C13H15N3O5S/c1-22(18,19)13-16-15-12(21-13)7-8-14-11(17)9-20-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,17)
InChIKeyDRWBHMQILUPRNZ-UHFFFAOYSA-N
MW325.35 g/mol
LogP0.21
Rot. Bonds7

About N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide

N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide (PubChem CID 9188757) has the molecular formula C13H15N3O5S and a molecular weight of 325.35 g/mol. Its IUPAC name is N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide
PubChem CID9188757
Molecular FormulaC13H15N3O5S
Molecular Weight325.35 g/mol
Exact Mass325.07
IUPAC NameN-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide
SMILESCS(=O)(=O)c1nnc(CCNC(=O)COc2ccccc2)o1
InChIInChI=1S/C13H15N3O5S/c1-22(18,19)13-16-15-12(21-13)7-8-14-11(17)9-20-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,17)
InChIKeyDRWBHMQILUPRNZ-UHFFFAOYSA-N
XLogP0.21
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 9188749
2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 9188783
N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-phenoxyacetamide
CID 110321314
N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide
CID 9189117
2-(4-methylphenoxy)-N-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110320557
N-[2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-phenoxypropanamide
CID 110321939
N-[2-(methylsulfamoyl)ethyl]-2-phenoxyacetamide
CID 110292880
2-phenoxy-N-[2-(1,3-thiazol-5-yl)ethyl]acetamide
CID 110717509
2-(4-chlorophenoxy)-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 110368452
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 9188631
1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea
CID 9188540

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide (CID 9188757) is N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide is CS(=O)(=O)c1nnc(CCNC(=O)COc2ccccc2)o1.
What is the InChIKey of N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide?
The InChIKey is DRWBHMQILUPRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5S/c1-22(18,19)13-16-15-12(21-13)7-8-14-11(17)9-20-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,17).
What are the key properties of N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide?
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 325.35 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 9188757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).