N,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide

C21H28FN3O2 — CID 26742919

IUPACN,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C21H28FN3O2/c1-3-25(4-2)21(26)12-16-9-10-23-14-17(16)11-19-13-20(27-24-19)15-5-7-18(22)8-6-15/h5-8,13,16-17,23H,3-4,9-12,14H2,1-2H3/t16-,17-/m0/s1
InChIKeyRAXUDMSFLXYBKZ-IRXDYDNUSA-N
MW373.47 g/mol
LogP3.51
Rot. Bonds7

About N,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide

N,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 26742919) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is N,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID26742919
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC NameN,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C21H28FN3O2/c1-3-25(4-2)21(26)12-16-9-10-23-14-17(16)11-19-13-20(27-24-19)15-5-7-18(22)8-6-15/h5-8,13,16-17,23H,3-4,9-12,14H2,1-2H3/t16-,17-/m0/s1
InChIKeyRAXUDMSFLXYBKZ-IRXDYDNUSA-N
XLogP3.51
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]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 N,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (CID 26742919) is N,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is CCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of N,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is RAXUDMSFLXYBKZ-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-3-25(4-2)21(26)12-16-9-10-23-14-17(16)11-19-13-20(27-24-19)15-5-7-18(22)8-6-15/h5-8,13,16-17,23H,3-4,9-12,14H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of N,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
N,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 373.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 26742919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).