2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide

C22H24N4O3S — CID 26328913

IUPAC2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
SMILESCc1oc(-c2cccs2)nc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1
InChIInChI=1S/C22H24N4O3S/c1-15-17(25-22(29-15)19-8-5-11-30-19)13-24-20(27)12-18-21(28)23-9-10-26(18)14-16-6-3-2-4-7-16/h2-8,11,18H,9-10,12-14H2,1H3,(H,23,28)(H,24,27)/t18-/m0/s1
InChIKeyQTMYMTSGXXMCHH-SFHVURJKSA-N
MW424.53 g/mol
LogP2.72
Rot. Bonds7

About 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide

2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide (PubChem CID 26328913) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
PubChem CID26328913
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
SMILESCc1oc(-c2cccs2)nc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1
InChIInChI=1S/C22H24N4O3S/c1-15-17(25-22(29-15)19-8-5-11-30-19)13-24-20(27)12-18-21(28)23-9-10-26(18)14-16-6-3-2-4-7-16/h2-8,11,18H,9-10,12-14H2,1H3,(H,23,28)(H,24,27)/t18-/m0/s1
InChIKeyQTMYMTSGXXMCHH-SFHVURJKSA-N
XLogP2.72
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
CID 45192971
2-(1-benzyl-3-oxopiperazin-2-yl)-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]acetamide
CID 56851921
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 26334660
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372
(3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-2-one
CID 51929935
2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95714026
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 42308103
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 56555149
2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 26393409
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 95722495
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95719193
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 45196329

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide (CID 26328913) is 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide is Cc1oc(-c2cccs2)nc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1.
What is the InChIKey of 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide?
The InChIKey is QTMYMTSGXXMCHH-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-15-17(25-22(29-15)19-8-5-11-30-19)13-24-20(27)12-18-21(28)23-9-10-26(18)14-16-6-3-2-4-7-16/h2-8,11,18H,9-10,12-14H2,1H3,(H,23,28)(H,24,27)/t18-/m0/s1.
What are the key properties of 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide?
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide has a molecular weight of 424.53 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide is sourced from PubChem (CID 26328913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).