3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one

C18H24N4O4 — CID 100653869

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one
SMILESCOc1nccnc1O[C@H]1CCCN(C(=O)CCc2c(C)noc2C)C1
InChIInChI=1S/C18H24N4O4/c1-12-15(13(2)26-21-12)6-7-16(23)22-10-4-5-14(11-22)25-18-17(24-3)19-8-9-20-18/h8-9,14H,4-7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyGDBULNPIRISBIP-AWEZNQCLSA-N
MW360.41 g/mol
LogP2.09
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one (PubChem CID 100653869) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one
PubChem CID100653869
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one
SMILESCOc1nccnc1O[C@H]1CCCN(C(=O)CCc2c(C)noc2C)C1
InChIInChI=1S/C18H24N4O4/c1-12-15(13(2)26-21-12)6-7-16(23)22-10-4-5-14(11-22)25-18-17(24-3)19-8-9-20-18/h8-9,14H,4-7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyGDBULNPIRISBIP-AWEZNQCLSA-N
XLogP2.09
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 100756540
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
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 91627457
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 78791717
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757149
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-methoxyanilino)piperidin-1-yl]propan-1-one
CID 45188207
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-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 125013242
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 121197474
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-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 124982287

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one (CID 100653869) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one is COc1nccnc1O[C@H]1CCCN(C(=O)CCc2c(C)noc2C)C1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one?
The InChIKey is GDBULNPIRISBIP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-12-15(13(2)26-21-12)6-7-16(23)22-10-4-5-14(11-22)25-18-17(24-3)19-8-9-20-18/h8-9,14H,4-7,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one has a molecular weight of 360.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 100653869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).