N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide

C22H26N4O2 — CID 5275495

IUPACN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCCc1ccc(-c2nc3cc(NC(=O)CN4CCN(C)CC4)ccc3o2)cc1
InChIInChI=1S/C22H26N4O2/c1-3-16-4-6-17(7-5-16)22-24-19-14-18(8-9-20(19)28-22)23-21(27)15-26-12-10-25(2)11-13-26/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,27)
InChIKeyGFSZZYNFMMNAHO-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.24
Rot. Bonds5

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

N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 5275495) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID5275495
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCCc1ccc(-c2nc3cc(NC(=O)CN4CCN(C)CC4)ccc3o2)cc1
InChIInChI=1S/C22H26N4O2/c1-3-16-4-6-17(7-5-16)22-24-19-14-18(8-9-20(19)28-22)23-21(27)15-26-12-10-25(2)11-13-26/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,27)
InChIKeyGFSZZYNFMMNAHO-UHFFFAOYSA-N
XLogP3.24
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
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-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 5275495) is N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide is CCc1ccc(-c2nc3cc(NC(=O)CN4CCN(C)CC4)ccc3o2)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is GFSZZYNFMMNAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-16-4-6-17(7-5-16)22-24-19-14-18(8-9-20(19)28-22)23-21(27)15-26-12-10-25(2)11-13-26/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 378.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 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-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 5275495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).