N-butyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C13H17N3O2S — CID 18106262

IUPACN-butyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCCNC(=O)CCc1nc(-c2ccsc2)no1
InChIInChI=1S/C13H17N3O2S/c1-2-3-7-14-11(17)4-5-12-15-13(16-18-12)10-6-8-19-9-10/h6,8-9H,2-5,7H2,1H3,(H,14,17)
InChIKeyXDOPVTABIYIPGY-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.65
Rot. Bonds7

About N-butyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-butyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 18106262) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-butyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID18106262
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-butyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCCNC(=O)CCc1nc(-c2ccsc2)no1
InChIInChI=1S/C13H17N3O2S/c1-2-3-7-14-11(17)4-5-12-15-13(16-18-12)10-6-8-19-9-10/h6,8-9H,2-5,7H2,1H3,(H,14,17)
InChIKeyXDOPVTABIYIPGY-UHFFFAOYSA-N
XLogP2.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.65
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-butyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-butyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 18106262) is N-butyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-butyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-butyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is CCCCNC(=O)CCc1nc(-c2ccsc2)no1.
What is the InChIKey of N-butyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is XDOPVTABIYIPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-3-7-14-11(17)4-5-12-15-13(16-18-12)10-6-8-19-9-10/h6,8-9H,2-5,7H2,1H3,(H,14,17).
What are the key properties of N-butyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-butyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 279.36 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 18106262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).