N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide

C24H26N4O4 — CID 45215120

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
SMILESCc1cc(CNC(=O)CC2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)on1
InChIInChI=1S/C24H26N4O4/c1-17-12-21(32-27-17)15-26-23(29)14-22-24(30)25-10-11-28(22)16-18-6-5-9-20(13-18)31-19-7-3-2-4-8-19/h2-9,12-13,22H,10-11,14-16H2,1H3,(H,25,30)(H,26,29)
InChIKeyLJDCPZKZDWEWTK-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.78
Rot. Bonds8

About N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide (PubChem CID 45215120) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
PubChem CID45215120
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
SMILESCc1cc(CNC(=O)CC2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)on1
InChIInChI=1S/C24H26N4O4/c1-17-12-21(32-27-17)15-26-23(29)14-22-24(30)25-10-11-28(22)16-18-6-5-9-20(13-18)31-19-7-3-2-4-8-19/h2-9,12-13,22H,10-11,14-16H2,1H3,(H,25,30)(H,26,29)
InChIKeyLJDCPZKZDWEWTK-UHFFFAOYSA-N
XLogP2.78
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 45228056
N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 42094081
N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 45236793
N-methyl-2-[(2S)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propan-2-ylacetamide
CID 95720629
N-methyl-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]-N-propylacetamide
CID 56884358
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45210149
N-(1H-imidazol-2-ylmethyl)-2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56881536
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372
2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide
CID 25278630
2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45186168
2-[3-oxo-1-[(3-propan-2-yloxyphenyl)methyl]piperazin-2-yl]acetohydrazide
CID 54847941
2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide (CID 45215120) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide is Cc1cc(CNC(=O)CC2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)on1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide?
The InChIKey is LJDCPZKZDWEWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-17-12-21(32-27-17)15-26-23(29)14-22-24(30)25-10-11-28(22)16-18-6-5-9-20(13-18)31-19-7-3-2-4-8-19/h2-9,12-13,22H,10-11,14-16H2,1H3,(H,25,30)(H,26,29).
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide has a molecular weight of 434.50 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-[3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 45215120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).