4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol

C16H14N4O2 — CID 135420862

IUPAC4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
SMILESCc1cc(C)nc(/N=C/c2nc(-c3ccccc3)oc2O)n1
InChIInChI=1S/C16H14N4O2/c1-10-8-11(2)19-16(18-10)17-9-13-15(21)22-14(20-13)12-6-4-3-5-7-12/h3-9,21H,1-2H3/b17-9+
InChIKeyVWIZFZVXMHPZIU-RQZCQDPDSA-N
MW294.31 g/mol
LogP3.20
Rot. Bonds3

About 4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol

4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol (PubChem CID 135420862) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol.

Molecular Properties

Compound Name4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
PubChem CID135420862
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol
SMILESCc1cc(C)nc(/N=C/c2nc(-c3ccccc3)oc2O)n1
InChIInChI=1S/C16H14N4O2/c1-10-8-11(2)19-16(18-10)17-9-13-15(21)22-14(20-13)12-6-4-3-5-7-12/h3-9,21H,1-2H3/b17-9+
InChIKeyVWIZFZVXMHPZIU-RQZCQDPDSA-N
XLogP3.20
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
The IUPAC name of 4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol (CID 135420862) is 4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol.
What is the SMILES notation for 4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
The canonical SMILES for 4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol is Cc1cc(C)nc(/N=C/c2nc(-c3ccccc3)oc2O)n1.
What is the InChIKey of 4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
The InChIKey is VWIZFZVXMHPZIU-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-8-11(2)19-16(18-10)17-9-13-15(21)22-14(20-13)12-6-4-3-5-7-12/h3-9,21H,1-2H3/b17-9+.
What are the key properties of 4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol?
4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol has a molecular weight of 294.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(4,6-dimethylpyrimidin-2-yl)iminomethyl]-2-phenyl-1,3-oxazol-5-ol is sourced from PubChem (CID 135420862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).