5-pyridin-3-yl-1,2-oxazol-3-one

C8H6N2O2 — CID 10702133

IUPAC5-pyridin-3-yl-1,2-oxazol-3-one
SMILESO=c1cc(-c2cccnc2)o[nH]1
InChIInChI=1S/C8H6N2O2/c11-8-4-7(12-10-8)6-2-1-3-9-5-6/h1-5H,(H,10,11)
InChIKeyMUUPDSVOQGYPQG-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.03
Rot. Bonds1

About 5-pyridin-3-yl-1,2-oxazol-3-one

5-pyridin-3-yl-1,2-oxazol-3-one (PubChem CID 10702133) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 5-pyridin-3-yl-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-pyridin-3-yl-1,2-oxazol-3-one
PubChem CID10702133
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name5-pyridin-3-yl-1,2-oxazol-3-one
SMILESO=c1cc(-c2cccnc2)o[nH]1
InChIInChI=1S/C8H6N2O2/c11-8-4-7(12-10-8)6-2-1-3-9-5-6/h1-5H,(H,10,11)
InChIKeyMUUPDSVOQGYPQG-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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Related Compounds

ethane;5-(5-methyl-3-pyridinyl)-1,2-oxazol-3-one
CID 145106828
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3,5-dipyridin-3-yl-1,2-oxazole
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4-hydroxy-6-pyridin-3-ylpyran-2-one
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3-pyridin-3-yl-1H-pyridazin-6-one;hydrochloride
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4-propan-2-yl-5-pyridin-3-yl-1,2-oxazol-3-one
CID 19596717
cyclopenta[c]azepine
CID 638010
2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 126953697
4-(2-aminoethyl)-3-pyridin-3-yl-2H-1,2-oxazol-5-one
CID 4715307
6-pyridin-3-yl-3H-1,3-benzoxazol-2-one
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3-azulen-6-ylpyridine
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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-1,2-oxazol-3-one?
The IUPAC name of 5-pyridin-3-yl-1,2-oxazol-3-one (CID 10702133) is 5-pyridin-3-yl-1,2-oxazol-3-one.
What is the SMILES notation for 5-pyridin-3-yl-1,2-oxazol-3-one?
The canonical SMILES for 5-pyridin-3-yl-1,2-oxazol-3-one is O=c1cc(-c2cccnc2)o[nH]1.
What is the InChIKey of 5-pyridin-3-yl-1,2-oxazol-3-one?
The InChIKey is MUUPDSVOQGYPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-8-4-7(12-10-8)6-2-1-3-9-5-6/h1-5H,(H,10,11).
What are the key properties of 5-pyridin-3-yl-1,2-oxazol-3-one?
5-pyridin-3-yl-1,2-oxazol-3-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 5-pyridin-3-yl-1,2-oxazol-3-one is sourced from PubChem (CID 10702133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).