5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C12H11N3O2 — CID 68913978

IUPAC5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1cnc(-c2cc(C#N)c(=O)[nH]c2C)o1
InChIInChI=1S/C12H11N3O2/c1-3-9-6-14-12(17-9)10-4-8(5-13)11(16)15-7(10)2/h4,6H,3H2,1-2H3,(H,15,16)
InChIKeyAQMVIPGWTYEWLS-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.77
Rot. Bonds2

About 5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 68913978) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID68913978
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1cnc(-c2cc(C#N)c(=O)[nH]c2C)o1
InChIInChI=1S/C12H11N3O2/c1-3-9-6-14-12(17-9)10-4-8(5-13)11(16)15-7(10)2/h4,6H,3H2,1-2H3,(H,15,16)
InChIKeyAQMVIPGWTYEWLS-UHFFFAOYSA-N
XLogP1.77
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 68913978) is 5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCc1cnc(-c2cc(C#N)c(=O)[nH]c2C)o1.
What is the InChIKey of 5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is AQMVIPGWTYEWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-3-9-6-14-12(17-9)10-4-8(5-13)11(16)15-7(10)2/h4,6H,3H2,1-2H3,(H,15,16).
What are the key properties of 5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 229.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-1,3-oxazol-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 68913978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).