4-[(E)-but-2-en-2-yl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole

C16H19NO4 — CID 143281929

IUPAC4-[(E)-but-2-en-2-yl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESC/C=C(\C)c1cnoc1-c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H19NO4/c1-6-10(2)12-9-17-21-15(12)11-7-13(18-3)16(20-5)14(8-11)19-4/h6-9H,1-5H3/b10-6+
InChIKeyGWLKAEYOWJHADQ-UXBLZVDNSA-N
MW289.33 g/mol
LogP3.79
Rot. Bonds5

About 4-[(E)-but-2-en-2-yl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole

4-[(E)-but-2-en-2-yl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 143281929) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[(E)-but-2-en-2-yl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-[(E)-but-2-en-2-yl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID143281929
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-[(E)-but-2-en-2-yl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESC/C=C(\C)c1cnoc1-c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H19NO4/c1-6-10(2)12-9-17-21-15(12)11-7-13(18-3)16(20-5)14(8-11)19-4/h6-9H,1-5H3/b10-6+
InChIKeyGWLKAEYOWJHADQ-UXBLZVDNSA-N
XLogP3.79
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-en-2-yl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-[(E)-but-2-en-2-yl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole (CID 143281929) is 4-[(E)-but-2-en-2-yl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-[(E)-but-2-en-2-yl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-[(E)-but-2-en-2-yl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole is C/C=C(\C)c1cnoc1-c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 4-[(E)-but-2-en-2-yl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is GWLKAEYOWJHADQ-UXBLZVDNSA-N. The full InChI is InChI=1S/C16H19NO4/c1-6-10(2)12-9-17-21-15(12)11-7-13(18-3)16(20-5)14(8-11)19-4/h6-9H,1-5H3/b10-6+.
What are the key properties of 4-[(E)-but-2-en-2-yl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
4-[(E)-but-2-en-2-yl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 289.33 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-en-2-yl]-5-(3,4,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 143281929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).