4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile

C18H16N4O — CID 131893995

IUPAC4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile
SMILESCCc1nc(-c2ccc(C#N)cc2)cc(-c2c(C)noc2C)n1
InChIInChI=1S/C18H16N4O/c1-4-17-20-15(14-7-5-13(10-19)6-8-14)9-16(21-17)18-11(2)22-23-12(18)3/h5-9H,4H2,1-3H3
InChIKeyYFGUFHVWVVNUTD-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.85
Rot. Bonds3

About 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile (PubChem CID 131893995) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile
PubChem CID131893995
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile
SMILESCCc1nc(-c2ccc(C#N)cc2)cc(-c2c(C)noc2C)n1
InChIInChI=1S/C18H16N4O/c1-4-17-20-15(14-7-5-13(10-19)6-8-14)9-16(21-17)18-11(2)22-23-12(18)3/h5-9H,4H2,1-3H3
InChIKeyYFGUFHVWVVNUTD-UHFFFAOYSA-N
XLogP3.85
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile?
The IUPAC name of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile (CID 131893995) is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile?
The canonical SMILES for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile is CCc1nc(-c2ccc(C#N)cc2)cc(-c2c(C)noc2C)n1.
What is the InChIKey of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile?
The InChIKey is YFGUFHVWVVNUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-4-17-20-15(14-7-5-13(10-19)6-8-14)9-16(21-17)18-11(2)22-23-12(18)3/h5-9H,4H2,1-3H3.
What are the key properties of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile?
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile has a molecular weight of 304.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-ethylpyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 131893995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).