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

C24H27N3O3 — CID 74734735

IUPAC2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(-c2cc(CC3CNCCC3CC(=O)Nc3ccccc3)no2)cc1
InChIInChI=1S/C24H27N3O3/c1-29-22-9-7-17(8-10-22)23-15-21(27-30-23)13-19-16-25-12-11-18(19)14-24(28)26-20-5-3-2-4-6-20/h2-10,15,18-19,25H,11-14,16H2,1H3,(H,26,28)
InChIKeyPJIUCGDYPBJPJS-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.15
Rot. Bonds7

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

2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide (PubChem CID 74734735) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide
PubChem CID74734735
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide
SMILESCOc1ccc(-c2cc(CC3CNCCC3CC(=O)Nc3ccccc3)no2)cc1
InChIInChI=1S/C24H27N3O3/c1-29-22-9-7-17(8-10-22)23-15-21(27-30-23)13-19-16-25-12-11-18(19)14-24(28)26-20-5-3-2-4-6-20/h2-10,15,18-19,25H,11-14,16H2,1H3,(H,26,28)
InChIKeyPJIUCGDYPBJPJS-UHFFFAOYSA-N
XLogP4.15
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetic acid
CID 26743332
2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 40777410
N-(3-hydroxyphenyl)-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 40777393
N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 40777425
2-[(3S,4S)-3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 162917916
2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 74734822
2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-methyl-N-prop-2-ynylacetamide
CID 28960225
N-[2-(dimethylamino)ethyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 74734697
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
CID 74734782
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
CID 74734759
N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 74734699
N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 40777368

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide (CID 74734735) is 2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide is COc1ccc(-c2cc(CC3CNCCC3CC(=O)Nc3ccccc3)no2)cc1.
What is the InChIKey of 2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide?
The InChIKey is PJIUCGDYPBJPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-29-22-9-7-17(8-10-22)23-15-21(27-30-23)13-19-16-25-12-11-18(19)14-24(28)26-20-5-3-2-4-6-20/h2-10,15,18-19,25H,11-14,16H2,1H3,(H,26,28).
What are the key properties of 2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide?
2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide has a molecular weight of 405.50 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 74734735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).