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

C24H26FN3O2 — CID 26742911

IUPACN-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCc1ccccc1
InChIInChI=1S/C24H26FN3O2/c25-21-8-6-18(7-9-21)23-14-22(28-30-23)12-20-16-26-11-10-19(20)13-24(29)27-15-17-4-2-1-3-5-17/h1-9,14,19-20,26H,10-13,15-16H2,(H,27,29)/t19-,20-/m0/s1
InChIKeyYOMXCFFUTMFRSO-PMACEKPBSA-N
MW407.49 g/mol
LogP3.96
Rot. Bonds7

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

N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 26742911) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID26742911
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC NameN-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCc1ccccc1
InChIInChI=1S/C24H26FN3O2/c25-21-8-6-18(7-9-21)23-14-22(28-30-23)12-20-16-26-11-10-19(20)13-24(29)27-15-17-4-2-1-3-5-17/h1-9,14,19-20,26H,10-13,15-16H2,(H,27,29)/t19-,20-/m0/s1
InChIKeyYOMXCFFUTMFRSO-PMACEKPBSA-N
XLogP3.96
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-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-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (CID 26742911) is N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccc(F)cc2)on1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is YOMXCFFUTMFRSO-PMACEKPBSA-N. The full InChI is InChI=1S/C24H26FN3O2/c25-21-8-6-18(7-9-21)23-14-22(28-30-23)12-20-16-26-11-10-19(20)13-24(29)27-15-17-4-2-1-3-5-17/h1-9,14,19-20,26H,10-13,15-16H2,(H,27,29)/t19-,20-/m0/s1.
What are the key properties of N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 407.49 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3R,4S)-3-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 26742911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).