(2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide

C14H20N4O4 — CID 124949487

IUPAC(2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2coc(C)n2)C[C@@H]1C(=O)N(C)C
InChIInChI=1S/C14H20N4O4/c1-9-15-11(8-22-9)13(20)17-5-6-18(10(2)19)12(7-17)14(21)16(3)4/h8,12H,5-7H2,1-4H3/t12-/m1/s1
InChIKeyCULJBOYCRRSUDY-GFCCVEGCSA-N
MW308.34 g/mol
LogP-0.26
Rot. Bonds2

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

(2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide (PubChem CID 124949487) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide
PubChem CID124949487
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name(2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2coc(C)n2)C[C@@H]1C(=O)N(C)C
InChIInChI=1S/C14H20N4O4/c1-9-15-11(8-22-9)13(20)17-5-6-18(10(2)19)12(7-17)14(21)16(3)4/h8,12H,5-7H2,1-4H3/t12-/m1/s1
InChIKeyCULJBOYCRRSUDY-GFCCVEGCSA-N
XLogP-0.26
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 125024247
(2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
CID 124967207
(2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 124981335
(3S)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxylic acid
CID 100802472
[(3R)-1-(2-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95828746
(2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 124971294
(2R)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 124994773
(2-methyl-1,3-oxazol-4-yl)-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947235
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402898
1-[4-(2-amino-1,3-oxazole-4-carbonyl)piperazin-1-yl]ethanone
CID 110850382
(2-methyl-1,3-oxazol-4-yl)-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893796
(6-benzyl-1,4-oxazepan-4-yl)-(2-methyl-1,3-oxazol-4-yl)methanone
CID 102604379

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide (CID 124949487) is (2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide is CC(=O)N1CCN(C(=O)c2coc(C)n2)C[C@@H]1C(=O)N(C)C.
What is the InChIKey of (2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is CULJBOYCRRSUDY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-9-15-11(8-22-9)13(20)17-5-6-18(10(2)19)12(7-17)14(21)16(3)4/h8,12H,5-7H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide?
(2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-N,N-dimethyl-4-(2-methyl-1,3-oxazole-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 124949487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).