N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

C17H28N4O3 — CID 95126653

IUPACN-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCC(C)Cc1cc(CNC(=O)C[C@H]2C(=O)NCCN2C(C)C)on1
InChIInChI=1S/C17H28N4O3/c1-11(2)7-13-8-14(24-20-13)10-19-16(22)9-15-17(23)18-5-6-21(15)12(3)4/h8,11-12,15H,5-7,9-10H2,1-4H3,(H,18,23)(H,19,22)/t15-/m0/s1
InChIKeyZLESTUZCKKXQHZ-HNNXBMFYSA-N
MW336.44 g/mol
LogP1.09
Rot. Bonds7

About N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (PubChem CID 95126653) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
PubChem CID95126653
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCC(C)Cc1cc(CNC(=O)C[C@H]2C(=O)NCCN2C(C)C)on1
InChIInChI=1S/C17H28N4O3/c1-11(2)7-13-8-14(24-20-13)10-19-16(22)9-15-17(23)18-5-6-21(15)12(3)4/h8,11-12,15H,5-7,9-10H2,1-4H3,(H,18,23)(H,19,22)/t15-/m0/s1
InChIKeyZLESTUZCKKXQHZ-HNNXBMFYSA-N
XLogP1.09
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 95132319
N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 135118006
N-[(2,6-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 42241907
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 56896917
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 90651920
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylacetamide
CID 91789465
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 124854636
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 50959250
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95728846
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95552184
N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 56898752
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]acetamide
CID 50973484

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The IUPAC name of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (CID 95126653) is N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.
What is the SMILES notation for N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The canonical SMILES for N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is CC(C)Cc1cc(CNC(=O)C[C@H]2C(=O)NCCN2C(C)C)on1.
What is the InChIKey of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The InChIKey is ZLESTUZCKKXQHZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-11(2)7-13-8-14(24-20-13)10-19-16(22)9-15-17(23)18-5-6-21(15)12(3)4/h8,11-12,15H,5-7,9-10H2,1-4H3,(H,18,23)(H,19,22)/t15-/m0/s1.
What are the key properties of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is sourced from PubChem (CID 95126653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).