3-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine

C17H18N4O — CID 666667

IUPAC3-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine
SMILES[H]/N=c1\oc(-c2ccc(CC)cc2)cn1-c1nc(C)cc(C)n1
InChIInChI=1S/C17H18N4O/c1-4-13-5-7-14(8-6-13)15-10-21(16(18)22-15)17-19-11(2)9-12(3)20-17/h5-10,18H,4H2,1-3H3/b18-16-
InChIKeyZWVYNBTVADDVFM-VLGSPTGOSA-N
MW294.36 g/mol
LogP3.19
Rot. Bonds3

About 3-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine

3-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine (PubChem CID 666667) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine
PubChem CID666667
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine
SMILES[H]/N=c1\oc(-c2ccc(CC)cc2)cn1-c1nc(C)cc(C)n1
InChIInChI=1S/C17H18N4O/c1-4-13-5-7-14(8-6-13)15-10-21(16(18)22-15)17-19-11(2)9-12(3)20-17/h5-10,18H,4H2,1-3H3/b18-16-
InChIKeyZWVYNBTVADDVFM-VLGSPTGOSA-N
XLogP3.19
TPSA67.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine (CID 666667) is 3-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine is [H]/N=c1\oc(-c2ccc(CC)cc2)cn1-c1nc(C)cc(C)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine?
The InChIKey is ZWVYNBTVADDVFM-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H18N4O/c1-4-13-5-7-14(8-6-13)15-10-21(16(18)22-15)17-19-11(2)9-12(3)20-17/h5-10,18H,4H2,1-3H3/b18-16-.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine?
3-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine has a molecular weight of 294.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)-5-(4-ethylphenyl)-1,3-oxazol-2-imine is sourced from PubChem (CID 666667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).