3-(1,3-oxazol-2-yl)-1H-pyridin-2-one

C8H6N2O2 — CID 90827110

IUPAC3-(1,3-oxazol-2-yl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1ncco1
InChIInChI=1S/C8H6N2O2/c11-7-6(2-1-3-9-7)8-10-4-5-12-8/h1-5H,(H,9,11)
InChIKeyHSUCQPLYJNBWGL-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.03
Rot. Bonds1

About 3-(1,3-oxazol-2-yl)-1H-pyridin-2-one

3-(1,3-oxazol-2-yl)-1H-pyridin-2-one (PubChem CID 90827110) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 3-(1,3-oxazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1,3-oxazol-2-yl)-1H-pyridin-2-one
PubChem CID90827110
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name3-(1,3-oxazol-2-yl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1ncco1
InChIInChI=1S/C8H6N2O2/c11-7-6(2-1-3-9-7)8-10-4-5-12-8/h1-5H,(H,9,11)
InChIKeyHSUCQPLYJNBWGL-UHFFFAOYSA-N
XLogP1.03
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-oxazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(1,3-oxazol-2-yl)-1H-pyridin-2-one (CID 90827110) is 3-(1,3-oxazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(1,3-oxazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(1,3-oxazol-2-yl)-1H-pyridin-2-one is O=c1[nH]cccc1-c1ncco1.
What is the InChIKey of 3-(1,3-oxazol-2-yl)-1H-pyridin-2-one?
The InChIKey is HSUCQPLYJNBWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-7-6(2-1-3-9-7)8-10-4-5-12-8/h1-5H,(H,9,11).
What are the key properties of 3-(1,3-oxazol-2-yl)-1H-pyridin-2-one?
3-(1,3-oxazol-2-yl)-1H-pyridin-2-one has a molecular weight of 162.15 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 90827110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).