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

C13H13NO2 — CID 1070756

IUPAC5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole
SMILESCOc1ccc(/C=C/c2cc(C)no2)cc1
InChIInChI=1S/C13H13NO2/c1-10-9-13(16-14-10)8-5-11-3-6-12(15-2)7-4-11/h3-9H,1-2H3/b8-5+
InChIKeyKAFZFEPKDGPZLS-VMPITWQZSA-N
MW215.25 g/mol
LogP3.16
Rot. Bonds3

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

5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole (PubChem CID 1070756) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole
PubChem CID1070756
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole
SMILESCOc1ccc(/C=C/c2cc(C)no2)cc1
InChIInChI=1S/C13H13NO2/c1-10-9-13(16-14-10)8-5-11-3-6-12(15-2)7-4-11/h3-9H,1-2H3/b8-5+
InChIKeyKAFZFEPKDGPZLS-VMPITWQZSA-N
XLogP3.16
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole (CID 1070756) is 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole is COc1ccc(/C=C/c2cc(C)no2)cc1.
What is the InChIKey of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole?
The InChIKey is KAFZFEPKDGPZLS-VMPITWQZSA-N. The full InChI is InChI=1S/C13H13NO2/c1-10-9-13(16-14-10)8-5-11-3-6-12(15-2)7-4-11/h3-9H,1-2H3/b8-5+.
What are the key properties of 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole?
5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole has a molecular weight of 215.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 1070756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).