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

C8H13N3O2S — CID 4784901

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(C)o1
InChIInChI=1S/C8H13N3O2S/c1-3-4-9-7(12)5-14-8-11-10-6(2)13-8/h3-5H2,1-2H3,(H,9,12)
InChIKeyCMIYJYOAVVUJOP-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.00
Rot. Bonds5

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

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylacetamide (PubChem CID 4784901) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylacetamide
PubChem CID4784901
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylacetamide
SMILESCCCNC(=O)CSc1nnc(C)o1
InChIInChI=1S/C8H13N3O2S/c1-3-4-9-7(12)5-14-8-11-10-6(2)13-8/h3-5H2,1-2H3,(H,9,12)
InChIKeyCMIYJYOAVVUJOP-UHFFFAOYSA-N
XLogP1.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylacetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylacetamide (CID 4784901) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylacetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylacetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nnc(C)o1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylacetamide?
The InChIKey is CMIYJYOAVVUJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-3-4-9-7(12)5-14-8-11-10-6(2)13-8/h3-5H2,1-2H3,(H,9,12).
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylacetamide?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylacetamide has a molecular weight of 215.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylacetamide is sourced from PubChem (CID 4784901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).