N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide

C17H26N6O2 — CID 71872494

IUPACN-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ncc(C(C)C)o1)C1CCN(CCn2cncn2)C1
InChIInChI=1S/C17H26N6O2/c1-13(2)16-8-19-17(25-16)10-23(14(3)24)15-4-5-21(9-15)6-7-22-12-18-11-20-22/h8,11-13,15H,4-7,9-10H2,1-3H3
InChIKeyADQLKJSWHXGBMU-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.51
Rot. Bonds7

About N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide

N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide (PubChem CID 71872494) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide
PubChem CID71872494
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC NameN-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N(Cc1ncc(C(C)C)o1)C1CCN(CCn2cncn2)C1
InChIInChI=1S/C17H26N6O2/c1-13(2)16-8-19-17(25-16)10-23(14(3)24)15-4-5-21(9-15)6-7-22-12-18-11-20-22/h8,11-13,15H,4-7,9-10H2,1-3H3
InChIKeyADQLKJSWHXGBMU-UHFFFAOYSA-N
XLogP1.51
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide 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 N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide (CID 71872494) is N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide is CC(=O)N(Cc1ncc(C(C)C)o1)C1CCN(CCn2cncn2)C1.
What is the InChIKey of N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide?
The InChIKey is ADQLKJSWHXGBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-13(2)16-8-19-17(25-16)10-23(14(3)24)15-4-5-21(9-15)6-7-22-12-18-11-20-22/h8,11-13,15H,4-7,9-10H2,1-3H3.
What are the key properties of N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide?
N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide has a molecular weight of 346.44 g/mol, XLogP of 1.51, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-N-[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71872494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).