(2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide

C15H22N4O4 — CID 125024247

IUPAC(2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2c(C)noc2C)C[C@@H]1C(=O)N(C)C
InChIInChI=1S/C15H22N4O4/c1-9-13(10(2)23-16-9)15(22)18-6-7-19(11(3)20)12(8-18)14(21)17(4)5/h12H,6-8H2,1-5H3/t12-/m1/s1
InChIKeyZEBMRIUJISHQML-GFCCVEGCSA-N
MW322.37 g/mol
LogP0.05
Rot. Bonds2

About (2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide

(2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 125024247) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is (2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
PubChem CID125024247
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name(2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2c(C)noc2C)C[C@@H]1C(=O)N(C)C
InChIInChI=1S/C15H22N4O4/c1-9-13(10(2)23-16-9)15(22)18-6-7-19(11(3)20)12(8-18)14(21)17(4)5/h12H,6-8H2,1-5H3/t12-/m1/s1
InChIKeyZEBMRIUJISHQML-GFCCVEGCSA-N
XLogP0.05
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 124981335
(2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide
CID 124949487
4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38725800
(2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
CID 124967207
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105652
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500616
1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 131680767
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116680882
(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1247460
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757149
(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 121020279

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide (CID 125024247) is (2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide is CC(=O)N1CCN(C(=O)c2c(C)noc2C)C[C@@H]1C(=O)N(C)C.
What is the InChIKey of (2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is ZEBMRIUJISHQML-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-9-13(10(2)23-16-9)15(22)18-6-7-19(11(3)20)12(8-18)14(21)17(4)5/h12H,6-8H2,1-5H3/t12-/m1/s1.
What are the key properties of (2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide?
(2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 125024247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).