N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide

C23H28N4O2 — CID 5275505

IUPACN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide
SMILESCC(C)(C)c1ccc(-c2nc3cc(NC(=O)CN4CCNCC4)ccc3o2)cc1
InChIInChI=1S/C23H28N4O2/c1-23(2,3)17-6-4-16(5-7-17)22-26-19-14-18(8-9-20(19)29-22)25-21(28)15-27-12-10-24-11-13-27/h4-9,14,24H,10-13,15H2,1-3H3,(H,25,28)
InChIKeyZOINFNACPQNPIN-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.64
Rot. Bonds4

About N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide

N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide (PubChem CID 5275505) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide
PubChem CID5275505
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide
SMILESCC(C)(C)c1ccc(-c2nc3cc(NC(=O)CN4CCNCC4)ccc3o2)cc1
InChIInChI=1S/C23H28N4O2/c1-23(2,3)17-6-4-16(5-7-17)22-26-19-14-18(8-9-20(19)29-22)25-21(28)15-27-12-10-24-11-13-27/h4-9,14,24H,10-13,15H2,1-3H3,(H,25,28)
InChIKeyZOINFNACPQNPIN-UHFFFAOYSA-N
XLogP3.64
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide 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-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide (CID 5275505) is N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide is CC(C)(C)c1ccc(-c2nc3cc(NC(=O)CN4CCNCC4)ccc3o2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide?
The InChIKey is ZOINFNACPQNPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-23(2,3)17-6-4-16(5-7-17)22-26-19-14-18(8-9-20(19)29-22)25-21(28)15-27-12-10-24-11-13-27/h4-9,14,24H,10-13,15H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide?
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide has a molecular weight of 392.50 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 5275505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).