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

C21H24N4O2 — CID 5275496

IUPACN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide
SMILESCCc1ccc(-c2nc3cc(NC(=O)CN4CCNCC4)ccc3o2)cc1
InChIInChI=1S/C21H24N4O2/c1-2-15-3-5-16(6-4-15)21-24-18-13-17(7-8-19(18)27-21)23-20(26)14-25-11-9-22-10-12-25/h3-8,13,22H,2,9-12,14H2,1H3,(H,23,26)
InChIKeyORYSPAAGAYIJCZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.90
Rot. Bonds5

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

N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide (PubChem CID 5275496) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide
PubChem CID5275496
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide
SMILESCCc1ccc(-c2nc3cc(NC(=O)CN4CCNCC4)ccc3o2)cc1
InChIInChI=1S/C21H24N4O2/c1-2-15-3-5-16(6-4-15)21-24-18-13-17(7-8-19(18)27-21)23-20(26)14-25-11-9-22-10-12-25/h3-8,13,22H,2,9-12,14H2,1H3,(H,23,26)
InChIKeyORYSPAAGAYIJCZ-UHFFFAOYSA-N
XLogP2.90
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide (CID 5275496) is N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide is CCc1ccc(-c2nc3cc(NC(=O)CN4CCNCC4)ccc3o2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide?
The InChIKey is ORYSPAAGAYIJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-15-3-5-16(6-4-15)21-24-18-13-17(7-8-19(18)27-21)23-20(26)14-25-11-9-22-10-12-25/h3-8,13,22H,2,9-12,14H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide?
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide has a molecular weight of 364.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 5275496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).