2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone

C18H23N3O2 — CID 118740020

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCCC(Cc2ccccn2)C1
InChIInChI=1S/C18H23N3O2/c1-13-17(14(2)23-20-13)11-18(22)21-9-5-6-15(12-21)10-16-7-3-4-8-19-16/h3-4,7-8,15H,5-6,9-12H2,1-2H3
InChIKeyMUBOBIOTPDCMMD-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.71
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 118740020) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
PubChem CID118740020
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCCC(Cc2ccccn2)C1
InChIInChI=1S/C18H23N3O2/c1-13-17(14(2)23-20-13)11-18(22)21-9-5-6-15(12-21)10-16-7-3-4-8-19-16/h3-4,7-8,15H,5-6,9-12H2,1-2H3
InChIKeyMUBOBIOTPDCMMD-UHFFFAOYSA-N
XLogP2.71
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone (CID 118740020) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCCC(Cc2ccccn2)C1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is MUBOBIOTPDCMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-17(14(2)23-20-13)11-18(22)21-9-5-6-15(12-21)10-16-7-3-4-8-19-16/h3-4,7-8,15H,5-6,9-12H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 313.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 118740020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).