4-hydroxy-6-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one

C13H16N2O3 — CID 176565313

IUPAC4-hydroxy-6-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one
SMILESCCCc1cnc(CCc2cc(O)cc(=O)[nH]2)o1
InChIInChI=1S/C13H16N2O3/c1-2-3-11-8-14-13(18-11)5-4-9-6-10(16)7-12(17)15-9/h6-8H,2-5H2,1H3,(H2,15,16,17)
InChIKeyJNPLHIGEKTXMAB-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.81
Rot. Bonds5

About 4-hydroxy-6-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one

4-hydroxy-6-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one (PubChem CID 176565313) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-hydroxy-6-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one
PubChem CID176565313
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-hydroxy-6-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one
SMILESCCCc1cnc(CCc2cc(O)cc(=O)[nH]2)o1
InChIInChI=1S/C13H16N2O3/c1-2-3-11-8-14-13(18-11)5-4-9-6-10(16)7-12(17)15-9/h6-8H,2-5H2,1H3,(H2,15,16,17)
InChIKeyJNPLHIGEKTXMAB-UHFFFAOYSA-N
XLogP1.81
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-6-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one (CID 176565313) is 4-hydroxy-6-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one is CCCc1cnc(CCc2cc(O)cc(=O)[nH]2)o1.
What is the InChIKey of 4-hydroxy-6-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one?
The InChIKey is JNPLHIGEKTXMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-3-11-8-14-13(18-11)5-4-9-6-10(16)7-12(17)15-9/h6-8H,2-5H2,1H3,(H2,15,16,17).
What are the key properties of 4-hydroxy-6-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one?
4-hydroxy-6-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one has a molecular weight of 248.28 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 176565313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).