5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole

C16H21N3OS — CID 66111381

IUPAC5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCCC1(c2nc(CSc3cccc(C)c3)no2)CCNC1
InChIInChI=1S/C16H21N3OS/c1-3-16(7-8-17-11-16)15-18-14(19-20-15)10-21-13-6-4-5-12(2)9-13/h4-6,9,17H,3,7-8,10-11H2,1-2H3
InChIKeyMZKSDVRRCLGMAQ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.31
Rot. Bonds5

About 5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole

5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 66111381) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID66111381
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCCC1(c2nc(CSc3cccc(C)c3)no2)CCNC1
InChIInChI=1S/C16H21N3OS/c1-3-16(7-8-17-11-16)15-18-14(19-20-15)10-21-13-6-4-5-12(2)9-13/h4-6,9,17H,3,7-8,10-11H2,1-2H3
InChIKeyMZKSDVRRCLGMAQ-UHFFFAOYSA-N
XLogP3.31
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole 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-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole (CID 66111381) is 5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole is CCC1(c2nc(CSc3cccc(C)c3)no2)CCNC1.
What is the InChIKey of 5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is MZKSDVRRCLGMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-16(7-8-17-11-16)15-18-14(19-20-15)10-21-13-6-4-5-12(2)9-13/h4-6,9,17H,3,7-8,10-11H2,1-2H3.
What are the key properties of 5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole?
5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 303.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpyrrolidin-3-yl)-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 66111381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).