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

C14H15N3O2 — CID 175662821

IUPAC6-tert-butyl-5-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(C#N)c(=O)[nH]c2C(C)(C)C)on1
InChIInChI=1S/C14H15N3O2/c1-8-5-11(19-17-8)10-6-9(7-15)13(18)16-12(10)14(2,3)4/h5-6H,1-4H3,(H,16,18)
InChIKeyFCPZTGNSDKROKJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.51
Rot. Bonds1

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

6-tert-butyl-5-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 175662821) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-tert-butyl-5-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-tert-butyl-5-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID175662821
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name6-tert-butyl-5-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(C#N)c(=O)[nH]c2C(C)(C)C)on1
InChIInChI=1S/C14H15N3O2/c1-8-5-11(19-17-8)10-6-9(7-15)13(18)16-12(10)14(2,3)4/h5-6H,1-4H3,(H,16,18)
InChIKeyFCPZTGNSDKROKJ-UHFFFAOYSA-N
XLogP2.51
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

ethyl 2-tert-butyl-5-cyano-6-oxo-1H-pyridine-3-carboxylate
CID 14490480
2-tert-butyl-5-methyl-1H-pyrrole-3-carbonitrile
CID 53254564
5-(2,5-dimethyl-1,3-thiazol-4-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 23317678
5-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70495543
4-hydroxy-3-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-quinoline-6-carbonitrile
CID 136597520
5-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868950
ethene;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 22605028
potassium;6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile;hydroxide
CID 67782045
5-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 70494769
6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile
CID 70495868
5-(2-tert-butyl-4-ethenylpyrimidin-5-yl)-3-methyl-1,2-oxazole
CID 58550032
1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile
CID 113445212

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-tert-butyl-5-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile (CID 175662821) is 6-tert-butyl-5-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-tert-butyl-5-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-tert-butyl-5-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2cc(C#N)c(=O)[nH]c2C(C)(C)C)on1.
What is the InChIKey of 6-tert-butyl-5-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is FCPZTGNSDKROKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-5-11(19-17-8)10-6-9(7-15)13(18)16-12(10)14(2,3)4/h5-6H,1-4H3,(H,16,18).
What are the key properties of 6-tert-butyl-5-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile?
6-tert-butyl-5-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 257.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-(3-methyl-1,2-oxazol-5-yl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 175662821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).