(2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

C18H22N4O3 — CID 34680281

IUPAC(2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCC(=O)N1CCN([C@H](C(=O)Nc2cc(C)on2)c2ccccc2)CC1
InChIInChI=1S/C18H22N4O3/c1-13-12-16(20-25-13)19-18(24)17(15-6-4-3-5-7-15)22-10-8-21(9-11-22)14(2)23/h3-7,12,17H,8-11H2,1-2H3,(H,19,20,24)/t17-/m0/s1
InChIKeyNWDKMVPJBYYKPU-KRWDZBQOSA-N
MW342.40 g/mol
LogP1.83
Rot. Bonds4

About (2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

(2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (PubChem CID 34680281) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
PubChem CID34680281
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCC(=O)N1CCN([C@H](C(=O)Nc2cc(C)on2)c2ccccc2)CC1
InChIInChI=1S/C18H22N4O3/c1-13-12-16(20-25-13)19-18(24)17(15-6-4-3-5-7-15)22-10-8-21(9-11-22)14(2)23/h3-7,12,17H,8-11H2,1-2H3,(H,19,20,24)/t17-/m0/s1
InChIKeyNWDKMVPJBYYKPU-KRWDZBQOSA-N
XLogP1.83
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide
CID 166184100
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-propylpiperazin-1-yl)acetamide
CID 30956561
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166218963
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-(4-pyridazin-3-ylpiperazin-1-yl)acetamide
CID 166180673
(2R)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 95619270
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 52907271
2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51242524
4-benzhydryl-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 24528636
N-(2-hydroxyphenyl)-1-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 34722221
(2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34717220
N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 17438264
4-fluoro-N-[1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]piperidin-4-yl]benzamide
CID 46595293

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The IUPAC name of (2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (CID 34680281) is (2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is CC(=O)N1CCN([C@H](C(=O)Nc2cc(C)on2)c2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The InChIKey is NWDKMVPJBYYKPU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-12-16(20-25-13)19-18(24)17(15-6-4-3-5-7-15)22-10-8-21(9-11-22)14(2)23/h3-7,12,17H,8-11H2,1-2H3,(H,19,20,24)/t17-/m0/s1.
What are the key properties of (2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
(2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide has a molecular weight of 342.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 34680281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).