[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C14H19N5O2 — CID 128992746

IUPAC[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)C(c3nccn3C)C2)no1
InChIInChI=1S/C14H19N5O2/c1-10-8-11(16-21-10)14(20)19-7-6-17(2)12(9-19)13-15-4-5-18(13)3/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyZUDJVWKUBREKSW-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.85
Rot. Bonds2

About [4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 128992746) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is [4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID128992746
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)C(c3nccn3C)C2)no1
InChIInChI=1S/C14H19N5O2/c1-10-8-11(16-21-10)14(20)19-7-6-17(2)12(9-19)13-15-4-5-18(13)3/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyZUDJVWKUBREKSW-UHFFFAOYSA-N
XLogP0.85
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,6-dimethylpyrimidin-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129001283
(2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478549
[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129478430
(5-fluoro-2-pyridinyl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128966106
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129478491
[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 129340807
(2,4-dimethylpyrimidin-5-yl)-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129479039
(5-hydroxy-3-pyridinyl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129474214
3-methyl-4-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazine-1-carbonyl]benzonitrile
CID 129475849
(3-ethyl-1-methylpyrazol-4-yl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 128997376
(4-ethylthiadiazol-5-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478872
(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129341721

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 128992746) is [4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(C)C(c3nccn3C)C2)no1.
What is the InChIKey of [4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is ZUDJVWKUBREKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-8-11(16-21-10)14(20)19-7-6-17(2)12(9-19)13-15-4-5-18(13)3/h4-5,8,12H,6-7,9H2,1-3H3.
What are the key properties of [4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 289.34 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 128992746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).