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

C23H29N5O2 — CID 155168355

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide
SMILESCN(C)CCN1CCN(CC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1
InChIInChI=1S/C23H29N5O2/c1-26(2)11-12-27-13-15-28(16-14-27)17-22(29)24-19-9-7-18(8-10-19)23-25-20-5-3-4-6-21(20)30-23/h3-10H,11-17H2,1-2H3,(H,24,29)
InChIKeyRXBSDCLIXMOLAV-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.61
Rot. Bonds7

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

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide (PubChem CID 155168355) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide
PubChem CID155168355
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide
SMILESCN(C)CCN1CCN(CC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1
InChIInChI=1S/C23H29N5O2/c1-26(2)11-12-27-13-15-28(16-14-27)17-22(29)24-19-9-7-18(8-10-19)23-25-20-5-3-4-6-21(20)30-23/h3-10H,11-17H2,1-2H3,(H,24,29)
InChIKeyRXBSDCLIXMOLAV-UHFFFAOYSA-N
XLogP2.61
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide (CID 155168355) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide is CN(C)CCN1CCN(CC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)CC1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide?
The InChIKey is RXBSDCLIXMOLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-26(2)11-12-27-13-15-28(16-14-27)17-22(29)24-19-9-7-18(8-10-19)23-25-20-5-3-4-6-21(20)30-23/h3-10H,11-17H2,1-2H3,(H,24,29).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide has a molecular weight of 407.52 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 155168355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).