5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole

C15H17NO4 — CID 71995338

IUPAC5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole
SMILESC=Cc1cc(OC)c(OCc2cc(C)no2)c(OC)c1
InChIInChI=1S/C15H17NO4/c1-5-11-7-13(17-3)15(14(8-11)18-4)19-9-12-6-10(2)16-20-12/h5-8H,1,9H2,2-4H3
InChIKeyCOBLIQTUIHKIDO-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.22
Rot. Bonds6

About 5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole

5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole (PubChem CID 71995338) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole
PubChem CID71995338
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole
SMILESC=Cc1cc(OC)c(OCc2cc(C)no2)c(OC)c1
InChIInChI=1S/C15H17NO4/c1-5-11-7-13(17-3)15(14(8-11)18-4)19-9-12-6-10(2)16-20-12/h5-8H,1,9H2,2-4H3
InChIKeyCOBLIQTUIHKIDO-UHFFFAOYSA-N
XLogP3.22
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole (CID 71995338) is 5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole is C=Cc1cc(OC)c(OCc2cc(C)no2)c(OC)c1.
What is the InChIKey of 5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole?
The InChIKey is COBLIQTUIHKIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-5-11-7-13(17-3)15(14(8-11)18-4)19-9-12-6-10(2)16-20-12/h5-8H,1,9H2,2-4H3.
What are the key properties of 5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole?
5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole has a molecular weight of 275.30 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethenyl-2,6-dimethoxyphenoxy)methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 71995338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).