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

C7H11N3O2S — CID 28563549

IUPAC2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCCc1nnc(SCC(N)=O)o1
InChIInChI=1S/C7H11N3O2S/c1-2-3-6-9-10-7(12-6)13-4-5(8)11/h2-4H2,1H3,(H2,8,11)
InChIKeyYYEBPXQMDNIEAF-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.60
Rot. Bonds5

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

2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 28563549) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID28563549
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCCCc1nnc(SCC(N)=O)o1
InChIInChI=1S/C7H11N3O2S/c1-2-3-6-9-10-7(12-6)13-4-5(8)11/h2-4H2,1H3,(H2,8,11)
InChIKeyYYEBPXQMDNIEAF-UHFFFAOYSA-N
XLogP0.60
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide;hydrochloride
CID 6603366
2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9170702
[5-(2-methylidenebutylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630539
2-[[5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 933237
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pentan-3-ylacetamide
CID 102630296
2-[[5-[(1S)-1-amino-3-methylbutyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 936397
propan-2-yl 2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 102630227
[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630364
methyl (2R)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate
CID 124732403
methyl 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-thiophen-3-ylacetate
CID 119051080
2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 934007
ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 53265037

Frequently Asked Questions

What is the IUPAC name of 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 28563549) is 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CCCc1nnc(SCC(N)=O)o1.
What is the InChIKey of 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is YYEBPXQMDNIEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-2-3-6-9-10-7(12-6)13-4-5(8)11/h2-4H2,1H3,(H2,8,11).
What are the key properties of 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 201.25 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 28563549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).