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

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Related Compounds

4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]benzonitrile
CID 155187782
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-methylbenzonitrile
CID 103827449
3-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-4-methylbenzonitrile
CID 121442754
3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-sulfanylidene-1,3-dihydroindol-4-yl]-4-methylbenzonitrile
CID 147405084
3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(4-methoxyanilino)benzonitrile
CID 126602162
2,3-dimethylquinoxaline-6-carbonitrile
CID 45099880
4-[4-[6-(4-methoxyphenyl)-2-phenylpyrimidin-4-yl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 118721631
4-[1-[N-(azetidin-3-ylmethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylanilino]cyclopropyl]benzonitrile
CID 175070452
4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-oxo-1H-pyridin-3-yl]amino]benzonitrile
CID 121379040
4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole
CID 143541732
4-[8-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4,5-dihydro-[1,2]oxazolo[5,4-d][1]benzazepin-6-yl]benzonitrile
CID 72694284
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789

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).