[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone

C17H15N3O2S — CID 53119614

IUPAC[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2noc(-c3ccccc3)n2)s1)N1CCCC1
InChIInChI=1S/C17H15N3O2S/c21-17(20-10-4-5-11-20)14-9-8-13(23-14)15-18-16(22-19-15)12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2
InChIKeyGJOZPVVBPXJPEB-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.70
Rot. Bonds3

About [5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone

[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53119614) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is [5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID53119614
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2noc(-c3ccccc3)n2)s1)N1CCCC1
InChIInChI=1S/C17H15N3O2S/c21-17(20-10-4-5-11-20)14-9-8-13(23-14)15-18-16(22-19-15)12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2
InChIKeyGJOZPVVBPXJPEB-UHFFFAOYSA-N
XLogP3.70
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone (CID 53119614) is [5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(-c2noc(-c3ccccc3)n2)s1)N1CCCC1.
What is the InChIKey of [5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GJOZPVVBPXJPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-17(20-10-4-5-11-20)14-9-8-13(23-14)15-18-16(22-19-15)12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2.
What are the key properties of [5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone?
[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 325.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53119614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).