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

C11H13N3O2S — CID 29169782

IUPACN-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
SMILESCC(=O)NCCCc1nc(-c2ccsc2)no1
InChIInChI=1S/C11H13N3O2S/c1-8(15)12-5-2-3-10-13-11(14-16-10)9-4-6-17-7-9/h4,6-7H,2-3,5H2,1H3,(H,12,15)
InChIKeyNPKWQEAVNBRVDA-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.87
Rot. Bonds5

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

N-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide (PubChem CID 29169782) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
PubChem CID29169782
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
SMILESCC(=O)NCCCc1nc(-c2ccsc2)no1
InChIInChI=1S/C11H13N3O2S/c1-8(15)12-5-2-3-10-13-11(14-16-10)9-4-6-17-7-9/h4,6-7H,2-3,5H2,1H3,(H,12,15)
InChIKeyNPKWQEAVNBRVDA-UHFFFAOYSA-N
XLogP1.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The IUPAC name of N-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide (CID 29169782) is N-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The canonical SMILES for N-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide is CC(=O)NCCCc1nc(-c2ccsc2)no1.
What is the InChIKey of N-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
The InChIKey is NPKWQEAVNBRVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-8(15)12-5-2-3-10-13-11(14-16-10)9-4-6-17-7-9/h4,6-7H,2-3,5H2,1H3,(H,12,15).
What are the key properties of N-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide?
N-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide has a molecular weight of 251.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide is sourced from PubChem (CID 29169782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).