3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide

C17H20N2O3S — CID 119049804

IUPAC3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(Cc2nc(C(c3ccccc3)C3CC3)no2)C1
InChIInChI=1S/C17H20N2O3S/c20-23(21)9-8-12(11-23)10-15-18-17(19-22-15)16(14-6-7-14)13-4-2-1-3-5-13/h1-5,12,14,16H,6-11H2
InChIKeyQOOVCODIZPRGHH-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.59
Rot. Bonds5

About 3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide

3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide (PubChem CID 119049804) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is 3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide
PubChem CID119049804
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC Name3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(Cc2nc(C(c3ccccc3)C3CC3)no2)C1
InChIInChI=1S/C17H20N2O3S/c20-23(21)9-8-12(11-23)10-15-18-17(19-22-15)16(14-6-7-14)13-4-2-1-3-5-13/h1-5,12,14,16H,6-11H2
InChIKeyQOOVCODIZPRGHH-UHFFFAOYSA-N
XLogP2.59
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide 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 3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide (CID 119049804) is 3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide is O=S1(=O)CCC(Cc2nc(C(c3ccccc3)C3CC3)no2)C1.
What is the InChIKey of 3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide?
The InChIKey is QOOVCODIZPRGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-23(21)9-8-12(11-23)10-15-18-17(19-22-15)16(14-6-7-14)13-4-2-1-3-5-13/h1-5,12,14,16H,6-11H2.
What are the key properties of 3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide?
3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide has a molecular weight of 332.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[cyclopropyl(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 119049804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).