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

C16H23N5O2 — CID 129478491

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCN(C)[C@H](c2nccn2C)C1
InChIInChI=1S/C16H23N5O2/c1-11-13(12(2)23-18-11)9-15(22)21-8-7-19(3)14(10-21)16-17-5-6-20(16)4/h5-6,14H,7-10H2,1-4H3/t14-/m0/s1
InChIKeyDVDPQPSZLLWNDC-AWEZNQCLSA-N
MW317.39 g/mol
LogP1.08
Rot. Bonds3

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 129478491) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID129478491
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCN(C)[C@H](c2nccn2C)C1
InChIInChI=1S/C16H23N5O2/c1-11-13(12(2)23-18-11)9-15(22)21-8-7-19(3)14(10-21)16-17-5-6-20(16)4/h5-6,14H,7-10H2,1-4H3/t14-/m0/s1
InChIKeyDVDPQPSZLLWNDC-AWEZNQCLSA-N
XLogP1.08
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 125156941
[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 128992746
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129328537
1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 129328750
1-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-methylsulfanylbutan-1-one
CID 128992681
1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-[(2S)-oxan-2-yl]propan-1-one
CID 129334404
(2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478549
3-(furan-3-yl)-1-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one
CID 128997702
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129478979
1-[(3R)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129478608
1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 125004464
[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone
CID 129340377

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone (CID 129478491) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCN(C)[C@H](c2nccn2C)C1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is DVDPQPSZLLWNDC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-13(12(2)23-18-11)9-15(22)21-8-7-19(3)14(10-21)16-17-5-6-20(16)4/h5-6,14H,7-10H2,1-4H3/t14-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 317.39 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 129478491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).