3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one

C17H22N4O2 — CID 125013242

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCC[C@@H](c2ccncn2)C1
InChIInChI=1S/C17H22N4O2/c1-12-15(13(2)23-20-12)5-6-17(22)21-9-3-4-14(10-21)16-7-8-18-11-19-16/h7-8,11,14H,3-6,9-10H2,1-2H3/t14-/m1/s1
InChIKeyWDYNDBHWWBZXNX-CQSZACIVSA-N
MW314.39 g/mol
LogP2.42
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one (PubChem CID 125013242) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
PubChem CID125013242
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCC[C@@H](c2ccncn2)C1
InChIInChI=1S/C17H22N4O2/c1-12-15(13(2)23-20-12)5-6-17(22)21-9-3-4-14(10-21)16-7-8-18-11-19-16/h7-8,11,14H,3-6,9-10H2,1-2H3/t14-/m1/s1
InChIKeyWDYNDBHWWBZXNX-CQSZACIVSA-N
XLogP2.42
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110096420
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 124982287
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95845538
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 78791717
3-(2-methylpyrazol-3-yl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 124989317
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95349356
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]propan-1-one
CID 100644730
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]propan-1-one
CID 100644715
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(3-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110096396
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(6R)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]propan-1-one
CID 124971419
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95339825
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one
CID 100653869

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one (CID 125013242) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one is Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2ccncn2)C1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one?
The InChIKey is WDYNDBHWWBZXNX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-15(13(2)23-20-12)5-6-17(22)21-9-3-4-14(10-21)16-7-8-18-11-19-16/h7-8,11,14H,3-6,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one has a molecular weight of 314.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 125013242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).