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

C25H28FN3O3 — CID 26743165

IUPACN-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)NCc1ccc(F)cc1
InChIInChI=1S/C25H28FN3O3/c26-21-8-6-18(7-9-21)15-28-25(30)13-19-10-11-27-16-20(19)12-22-14-24(32-29-22)17-31-23-4-2-1-3-5-23/h1-9,14,19-20,27H,10-13,15-17H2,(H,28,30)/t19-,20-/m0/s1
InChIKeyJLDPQUOSTZSJDZ-PMACEKPBSA-N
MW437.52 g/mol
LogP3.87
Rot. Bonds9

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

N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 26743165) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID26743165
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)NCc1ccc(F)cc1
InChIInChI=1S/C25H28FN3O3/c26-21-8-6-18(7-9-21)15-28-25(30)13-19-10-11-27-16-20(19)12-22-14-24(32-29-22)17-31-23-4-2-1-3-5-23/h1-9,14,19-20,27H,10-13,15-17H2,(H,28,30)/t19-,20-/m0/s1
InChIKeyJLDPQUOSTZSJDZ-PMACEKPBSA-N
XLogP3.87
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(phenoxymethyl)-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

Related Compounds

(3R,4S)-4-(4-((3-(2-chloro-3,6-difluorophenyl)isoxazol-5-yl)methoxy)phenyl)-N-(2-chloro-5-(3-methoxypropyl)benzyl)-N-cyclopropylpiperidine-3-carboxamide
CID 24742297
(3R,4S)-N-(5-(2-acetamidoethyl)-2-chlorobenzyl)-4-(4-((3-(2-chloro-3,6-difluorophenyl)isoxazol-5-yl)methoxy)phenyl)-N-cyclopropylpiperidine-3-carboxamide
CID 24743241
5-[(4-Fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 1480817
N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2738154
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide
CID 11957211
2-[4-[[3-(3,5-Dimethyl-1,2-oxazol-4-yl)phenyl]methylamino]-2-fluorophenoxy]acetic acid
CID 149378333
N-benzyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 2557396
4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(2-phenylethyl)butanamide
CID 6622707
N-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]acetamide
CID 15391752
N-[2-(4-ethoxyphenyl)ethyl]-4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]butanamide
CID 16009108
4-({5-[(2,6-Difluorophenoxy)methyl]isoxazol-3-yl}carbonyl)-1-methyl-2-phenylpiperazine
CID 16188379
5-[(2,6-difluorophenoxy)methyl]-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)isoxazole-3-carboxamide
CID 16190068

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (CID 26743165) is N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is JLDPQUOSTZSJDZ-PMACEKPBSA-N. The full InChI is InChI=1S/C25H28FN3O3/c26-21-8-6-18(7-9-21)15-28-25(30)13-19-10-11-27-16-20(19)12-22-14-24(32-29-22)17-31-23-4-2-1-3-5-23/h1-9,14,19-20,27H,10-13,15-17H2,(H,28,30)/t19-,20-/m0/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 437.52 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 26743165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).