4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile

C17H14N4O2 — CID 121379040

IUPAC4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile
SMILESCc1noc(C)c1-c1c[nH]c(=O)c(Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C17H14N4O2/c1-10-16(11(2)23-21-10)13-7-15(17(22)19-9-13)20-14-5-3-12(8-18)4-6-14/h3-7,9,20H,1-2H3,(H,19,22)
InChIKeyWBPAMBBYERPTEF-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.26
Rot. Bonds3

About 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile

4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile (PubChem CID 121379040) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile
PubChem CID121379040
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile
SMILESCc1noc(C)c1-c1c[nH]c(=O)c(Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C17H14N4O2/c1-10-16(11(2)23-21-10)13-7-15(17(22)19-9-13)20-14-5-3-12(8-18)4-6-14/h3-7,9,20H,1-2H3,(H,19,22)
InChIKeyWBPAMBBYERPTEF-UHFFFAOYSA-N
XLogP3.26
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile
CID 155187782
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-4-ylmethylamino)-1H-pyridin-2-one
CID 121379049
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(1R)-1-pyridin-2-ylethyl]amino]-1H-pyridin-2-one
CID 121379046
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(1R)-1-(1-methylpyridin-1-ium-2-yl)ethyl]amino]-1H-pyridin-2-one
CID 177247086
3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyanilino)benzonitrile
CID 126602162
[(Z)-1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]pent-3-en-2-ylidene]-ethenylideneazanium
CID 177247454
4-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 165455449
1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluoroanilino)pyridin-2-one
CID 90235051
methyl 4-[2-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]benzoate
CID 167061902
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile
CID 131893995
4-(2,4-dimethylanilino)benzonitrile
CID 29269980
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(pyridin-2-ylmethoxy)-1H-pyridin-2-one
CID 121379032

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile?
The IUPAC name of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile (CID 121379040) is 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile?
The canonical SMILES for 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile is Cc1noc(C)c1-c1c[nH]c(=O)c(Nc2ccc(C#N)cc2)c1.
What is the InChIKey of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile?
The InChIKey is WBPAMBBYERPTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-10-16(11(2)23-21-10)13-7-15(17(22)19-9-13)20-14-5-3-12(8-18)4-6-14/h3-7,9,20H,1-2H3,(H,19,22).
What are the key properties of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile?
4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile has a molecular weight of 306.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile is sourced from PubChem (CID 121379040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).