5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one

C16H15N3O3 — CID 121379032

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one
SMILESCc1noc(C)c1-c1c[nH]c(=O)c(OCc2ccccn2)c1
InChIInChI=1S/C16H15N3O3/c1-10-15(11(2)22-19-10)12-7-14(16(20)18-8-12)21-9-13-5-3-4-6-17-13/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyDMCWAKZQGHVLDZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.62
Rot. Bonds4

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one (PubChem CID 121379032) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one
PubChem CID121379032
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one
SMILESCc1noc(C)c1-c1c[nH]c(=O)c(OCc2ccccn2)c1
InChIInChI=1S/C16H15N3O3/c1-10-15(11(2)22-19-10)12-7-14(16(20)18-8-12)21-9-13-5-3-4-6-17-13/h3-8H,9H2,1-2H3,(H,18,20)
InChIKeyDMCWAKZQGHVLDZ-UHFFFAOYSA-N
XLogP2.62
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one (CID 121379032) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one is Cc1noc(C)c1-c1c[nH]c(=O)c(OCc2ccccn2)c1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one?
The InChIKey is DMCWAKZQGHVLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-15(11(2)22-19-10)12-7-14(16(20)18-8-12)21-9-13-5-3-4-6-17-13/h3-8H,9H2,1-2H3,(H,18,20).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one has a molecular weight of 297.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 121379032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).