2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide

C20H23N3O3S — CID 90522652

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C20H23N3O3S/c24-19(14-23-16-4-1-2-5-17(16)26-20(23)25)21-9-12-22-10-7-15(8-11-22)18-6-3-13-27-18/h1-6,13,15H,7-12,14H2,(H,21,24)
InChIKeyFFMMARQYEJRLQD-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.65
Rot. Bonds6

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide (PubChem CID 90522652) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
PubChem CID90522652
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C20H23N3O3S/c24-19(14-23-16-4-1-2-5-17(16)26-20(23)25)21-9-12-22-10-7-15(8-11-22)18-6-3-13-27-18/h1-6,13,15H,7-12,14H2,(H,21,24)
InChIKeyFFMMARQYEJRLQD-UHFFFAOYSA-N
XLogP2.65
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide 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 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide (CID 90522652) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide is O=C(Cn1c(=O)oc2ccccc21)NCCN1CCC(c2cccs2)CC1.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide?
The InChIKey is FFMMARQYEJRLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c24-19(14-23-16-4-1-2-5-17(16)26-20(23)25)21-9-12-22-10-7-15(8-11-22)18-6-3-13-27-18/h1-6,13,15H,7-12,14H2,(H,21,24).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 385.49 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 90522652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).