2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide

C15H21N5O2S — CID 50965258

IUPAC2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCN(Cc1noc(C2CCC2)n1)C(C)C(=O)Nc1nccs1
InChIInChI=1S/C15H21N5O2S/c1-3-20(10(2)13(21)18-15-16-7-8-23-15)9-12-17-14(22-19-12)11-5-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,18,21)
InChIKeyYCTAYYQKOMSOBJ-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.64
Rot. Bonds7

About 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide

2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 50965258) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID50965258
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCCN(Cc1noc(C2CCC2)n1)C(C)C(=O)Nc1nccs1
InChIInChI=1S/C15H21N5O2S/c1-3-20(10(2)13(21)18-15-16-7-8-23-15)9-12-17-14(22-19-12)11-5-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,18,21)
InChIKeyYCTAYYQKOMSOBJ-UHFFFAOYSA-N
XLogP2.64
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide 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 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide (CID 50965258) is 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide is CCN(Cc1noc(C2CCC2)n1)C(C)C(=O)Nc1nccs1.
What is the InChIKey of 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is YCTAYYQKOMSOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-3-20(10(2)13(21)18-15-16-7-8-23-15)9-12-17-14(22-19-12)11-5-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,18,21).
What are the key properties of 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide?
2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 335.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 50965258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).