5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine

C13H14N2O2 — CID 102467999

IUPAC5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine
SMILESCOc1ccc(/C=C/c2onc(C)c2N)cc1
InChIInChI=1S/C13H14N2O2/c1-9-13(14)12(17-15-9)8-5-10-3-6-11(16-2)7-4-10/h3-8H,14H2,1-2H3/b8-5+
InChIKeyZDYSSDIJZFGPDJ-VMPITWQZSA-N
MW230.27 g/mol
LogP2.74
Rot. Bonds3

About 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine

5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine (PubChem CID 102467999) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine
PubChem CID102467999
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine
SMILESCOc1ccc(/C=C/c2onc(C)c2N)cc1
InChIInChI=1S/C13H14N2O2/c1-9-13(14)12(17-15-9)8-5-10-3-6-11(16-2)7-4-10/h3-8H,14H2,1-2H3/b8-5+
InChIKeyZDYSSDIJZFGPDJ-VMPITWQZSA-N
XLogP2.74
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine?
The IUPAC name of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine (CID 102467999) is 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine.
What is the SMILES notation for 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine?
The canonical SMILES for 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine is COc1ccc(/C=C/c2onc(C)c2N)cc1.
What is the InChIKey of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine?
The InChIKey is ZDYSSDIJZFGPDJ-VMPITWQZSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-13(14)12(17-15-9)8-5-10-3-6-11(16-2)7-4-10/h3-8H,14H2,1-2H3/b8-5+.
What are the key properties of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine?
5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine has a molecular weight of 230.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazol-4-amine is sourced from PubChem (CID 102467999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).