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

C15H13N3O2S — CID 2104509

IUPAC3-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H13N3O2S/c19-13(9-8-11-5-2-1-3-6-11)16-15-18-17-14(20-15)12-7-4-10-21-12/h1-7,10H,8-9H2,(H,16,18,19)
InChIKeyWYAHWPFLDBJLEG-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.37
Rot. Bonds5

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

3-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 2104509) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID2104509
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name3-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1ccccc1)Nc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H13N3O2S/c19-13(9-8-11-5-2-1-3-6-11)16-15-18-17-14(20-15)12-7-4-10-21-12/h1-7,10H,8-9H2,(H,16,18,19)
InChIKeyWYAHWPFLDBJLEG-UHFFFAOYSA-N
XLogP3.37
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of 3-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 2104509) is 3-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for 3-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for 3-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1ccccc1)Nc1nnc(-c2cccs2)o1.
What is the InChIKey of 3-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is WYAHWPFLDBJLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-13(9-8-11-5-2-1-3-6-11)16-15-18-17-14(20-15)12-7-4-10-21-12/h1-7,10H,8-9H2,(H,16,18,19).
What are the key properties of 3-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
3-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 299.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 2104509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).