2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]acetamide

C23H28FN5O2 — CID 162668104

IUPAC2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCN(C)CCN1CCN(CC(=O)Nc2ccc(-c3nc4cc(F)ccc4o3)cc2)CC1
InChIInChI=1S/C23H28FN5O2/c1-27(2)9-10-28-11-13-29(14-12-28)16-22(30)25-19-6-3-17(4-7-19)23-26-20-15-18(24)5-8-21(20)31-23/h3-8,15H,9-14,16H2,1-2H3,(H,25,30)
InChIKeyOOBIBPPDEPYZRV-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.75
Rot. Bonds7

About 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]acetamide

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 162668104) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID162668104
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCN(C)CCN1CCN(CC(=O)Nc2ccc(-c3nc4cc(F)ccc4o3)cc2)CC1
InChIInChI=1S/C23H28FN5O2/c1-27(2)9-10-28-11-13-29(14-12-28)16-22(30)25-19-6-3-17(4-7-19)23-26-20-15-18(24)5-8-21(20)31-23/h3-8,15H,9-14,16H2,1-2H3,(H,25,30)
InChIKeyOOBIBPPDEPYZRV-UHFFFAOYSA-N
XLogP2.75
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 162668104) is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]acetamide is CN(C)CCN1CCN(CC(=O)Nc2ccc(-c3nc4cc(F)ccc4o3)cc2)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is OOBIBPPDEPYZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O2/c1-27(2)9-10-28-11-13-29(14-12-28)16-22(30)25-19-6-3-17(4-7-19)23-26-20-15-18(24)5-8-21(20)31-23/h3-8,15H,9-14,16H2,1-2H3,(H,25,30).
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]acetamide?
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 425.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 162668104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).