2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C17H26N6O2 — CID 95766414

IUPAC2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCCn1ccnc1CN1CCN(CC(=O)Nc2cc(C)no2)C[C@@H]1C
InChIInChI=1S/C17H26N6O2/c1-4-22-6-5-18-15(22)11-23-8-7-21(10-14(23)3)12-16(24)19-17-9-13(2)20-25-17/h5-6,9,14H,4,7-8,10-12H2,1-3H3,(H,19,24)/t14-/m0/s1
InChIKeyNPEJNTWNBOKPQX-AWEZNQCLSA-N
MW346.44 g/mol
LogP1.34
Rot. Bonds6

About 2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 95766414) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID95766414
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCCn1ccnc1CN1CCN(CC(=O)Nc2cc(C)no2)C[C@@H]1C
InChIInChI=1S/C17H26N6O2/c1-4-22-6-5-18-15(22)11-23-8-7-21(10-14(23)3)12-16(24)19-17-9-13(2)20-25-17/h5-6,9,14H,4,7-8,10-12H2,1-3H3,(H,19,24)/t14-/m0/s1
InChIKeyNPEJNTWNBOKPQX-AWEZNQCLSA-N
XLogP1.34
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[(3R)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 124726013
N-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 75369832
(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
CID 100838868
tert-butyl (2S)-2-methyl-4-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 95777075
1-[4-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 154798166
2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95294975
2-[3-(methylamino)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119920207
1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 55151558
(2S)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95284949
2-(3,5-dimethylpiperazin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
CID 119924199
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 124840308
(2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine
CID 98768790

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 95766414) is 2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is CCn1ccnc1CN1CCN(CC(=O)Nc2cc(C)no2)C[C@@H]1C.
What is the InChIKey of 2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is NPEJNTWNBOKPQX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-4-22-6-5-18-15(22)11-23-8-7-21(10-14(23)3)12-16(24)19-17-9-13(2)20-25-17/h5-6,9,14H,4,7-8,10-12H2,1-3H3,(H,19,24)/t14-/m0/s1.
What are the key properties of 2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 346.44 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 95766414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).