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

C24H28N4O3 — CID 26743189

IUPAC2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)NCc1cccnc1
InChIInChI=1S/C24H28N4O3/c29-24(27-15-18-5-4-9-25-14-18)12-19-8-10-26-16-20(19)11-21-13-23(31-28-21)17-30-22-6-2-1-3-7-22/h1-7,9,13-14,19-20,26H,8,10-12,15-17H2,(H,27,29)/t19-,20-/m0/s1
InChIKeyGUASAMPWIAKIBX-PMACEKPBSA-N
MW420.51 g/mol
LogP3.12
Rot. Bonds9

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

2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 26743189) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID26743189
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)NCc1cccnc1
InChIInChI=1S/C24H28N4O3/c29-24(27-15-18-5-4-9-25-14-18)12-19-8-10-26-16-20(19)11-21-13-23(31-28-21)17-30-22-6-2-1-3-7-22/h1-7,9,13-14,19-20,26H,8,10-12,15-17H2,(H,27,29)/t19-,20-/m0/s1
InChIKeyGUASAMPWIAKIBX-PMACEKPBSA-N
XLogP3.12
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ML381
CID 42519285
(3R,4S)-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-yl)methyl)-4-(4-((3-(2-chloro-3,6-difluorophenyl)isoxazol-5-yl)methoxy)phenyl)-N-cyclopropylpiperidine-3-carboxamide
CID 24742462
(3R,4S)-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-yl)methyl)-4-(6-((3-(2-chloro-3,6-difluorophenyl)isoxazol-5-yl)methoxy)pyridin-3-yl)-N-cyclopropylpiperidine-3-carboxamide
CID 52942895
(3R,4S)-4-(6-((3-(2-chloro-3,6-difluorophenyl)isoxazol-5-yl)methoxy)pyridin-3-yl)-N-(2-chloro-5-(2-methoxyethyl)benzyl)-N-cyclopropylpiperidine-3-carboxamide
CID 52946692
6-[[5-methyl-3-(6-methylpyridin-3-yl)-1,2-oxazol-4-yl]methoxy]-~{N}-[(2~{S})-1-oxidanylpentan-2-yl]pyridine-3-carboxamide
CID 134604371
(3R,4S)-4-[4-[[3-(2-chloro-3,6-difluorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]-N-[[5-chloro-2-(3-methoxypropyl)-1-oxidopyridin-1-ium-4-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 52945480
5-chloro-4-(((3R,4S)-4-(6-((3-(2-chloro-3,6-difluorophenyl)isoxazol-5-yl)methoxy)pyridin-3-yl)-N-cyclopropylpiperidine-3-carboxamido)methyl)-2-(3-methoxypropyl)pyridine 1-oxide
CID 53319354
6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3,4-dihydro-2H-2,7-naphthyridin-1-one
CID 168284772
4-[5-(4-Ethoxyphenyl)-1,2-oxazol-3-YL]-N-[(pyridin-3-YL)methyl]butanamide
CID 5308862
Dafadine-A
CID 24790866
6-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
CID 42629329
n-(2-Hydroxy-1-methyl-ethyl)-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinamide
CID 42629454

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 26743189) is 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)NCc1cccnc1.
What is the InChIKey of 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is GUASAMPWIAKIBX-PMACEKPBSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-24(27-15-18-5-4-9-25-14-18)12-19-8-10-26-16-20(19)11-21-13-23(31-28-21)17-30-22-6-2-1-3-7-22/h1-7,9,13-14,19-20,26H,8,10-12,15-17H2,(H,27,29)/t19-,20-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 420.51 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 26743189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).