N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide

C14H20N6O3 — CID 112529878

IUPACN-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)NCCc2c(C)noc2C)nn1
InChIInChI=1S/C14H20N6O3/c1-4-13(21)16-12-7-20(19-17-12)8-14(22)15-6-5-11-9(2)18-23-10(11)3/h7H,4-6,8H2,1-3H3,(H,15,22)(H,16,21)
InChIKeyZUBHXEPLPJVVEG-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.59
Rot. Bonds7

About N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide

N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide (PubChem CID 112529878) has the molecular formula C14H20N6O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide
PubChem CID112529878
Molecular FormulaC14H20N6O3
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC NameN-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)NCCc2c(C)noc2C)nn1
InChIInChI=1S/C14H20N6O3/c1-4-13(21)16-12-7-20(19-17-12)8-14(22)15-6-5-11-9(2)18-23-10(11)3/h7H,4-6,8H2,1-3H3,(H,15,22)(H,16,21)
InChIKeyZUBHXEPLPJVVEG-UHFFFAOYSA-N
XLogP0.59
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-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

Related Compounds

N-[1-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112530014
N-[1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112528634
N-[1-[2-[(4,6-dimethylpyrimidin-5-yl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112528702
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034
N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]triazol-4-yl]propanamide
CID 112522137
ethyl N-[1-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112528965
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 856763
ethyl N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamate
CID 110646305
2-(4-acetamidotriazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 112520327
2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 119778984
2-(4-acetamidotriazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112529383
N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112522313

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide?
The IUPAC name of N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide (CID 112529878) is N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide.
What is the SMILES notation for N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide?
The canonical SMILES for N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide is CCC(=O)Nc1cn(CC(=O)NCCc2c(C)noc2C)nn1.
What is the InChIKey of N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide?
The InChIKey is ZUBHXEPLPJVVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3/c1-4-13(21)16-12-7-20(19-17-12)8-14(22)15-6-5-11-9(2)18-23-10(11)3/h7H,4-6,8H2,1-3H3,(H,15,22)(H,16,21).
What are the key properties of N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide?
N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide has a molecular weight of 320.35 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2-oxoethyl]triazol-4-yl]propanamide is sourced from PubChem (CID 112529878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).