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

C24H27N3O3 — CID 26743147

IUPAC2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)Nc1ccccc1
InChIInChI=1S/C24H27N3O3/c28-24(26-20-7-3-1-4-8-20)14-18-11-12-25-16-19(18)13-21-15-23(30-27-21)17-29-22-9-5-2-6-10-22/h1-10,15,18-19,25H,11-14,16-17H2,(H,26,28)/t18-,19-/m0/s1
InChIKeyRYAUTJGVZMGKTD-OALUTQOASA-N
MW405.50 g/mol
LogP4.05
Rot. Bonds8

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

2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide (PubChem CID 26743147) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide
PubChem CID26743147
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide
SMILESO=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)Nc1ccccc1
InChIInChI=1S/C24H27N3O3/c28-24(26-20-7-3-1-4-8-20)14-18-11-12-25-16-19(18)13-21-15-23(30-27-21)17-29-22-9-5-2-6-10-22/h1-10,15,18-19,25H,11-14,16-17H2,(H,26,28)/t18-,19-/m0/s1
InChIKeyRYAUTJGVZMGKTD-OALUTQOASA-N
XLogP4.05
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide 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-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide (CID 26743147) is 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide is O=C(C[C@@H]1CCNC[C@@H]1Cc1cc(COc2ccccc2)on1)Nc1ccccc1.
What is the InChIKey of 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide?
The InChIKey is RYAUTJGVZMGKTD-OALUTQOASA-N. The full InChI is InChI=1S/C24H27N3O3/c28-24(26-20-7-3-1-4-8-20)14-18-11-12-25-16-19(18)13-21-15-23(30-27-21)17-29-22-9-5-2-6-10-22/h1-10,15,18-19,25H,11-14,16-17H2,(H,26,28)/t18-,19-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide?
2-[(3R,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide has a molecular weight of 405.50 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 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-phenylacetamide is sourced from PubChem (CID 26743147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).