3-(2-methoxy-5-prop-2-enylphenyl)-5-(phenylmethoxymethyl)-1,2-oxazole

C21H21NO3 — CID 155528342

IUPAC3-(2-methoxy-5-prop-2-enylphenyl)-5-(phenylmethoxymethyl)-1,2-oxazole
SMILESC=CCc1ccc(OC)c(-c2cc(COCc3ccccc3)on2)c1
InChIInChI=1S/C21H21NO3/c1-3-7-16-10-11-21(23-2)19(12-16)20-13-18(25-22-20)15-24-14-17-8-5-4-6-9-17/h3-6,8-13H,1,7,14-15H2,2H3
InChIKeyXVYRNMYGUYNGKS-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.80
Rot. Bonds8

About 3-(2-methoxy-5-prop-2-enylphenyl)-5-(phenylmethoxymethyl)-1,2-oxazole

3-(2-methoxy-5-prop-2-enylphenyl)-5-(phenylmethoxymethyl)-1,2-oxazole (PubChem CID 155528342) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-(2-methoxy-5-prop-2-enylphenyl)-5-(phenylmethoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-methoxy-5-prop-2-enylphenyl)-5-(phenylmethoxymethyl)-1,2-oxazole
PubChem CID155528342
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name3-(2-methoxy-5-prop-2-enylphenyl)-5-(phenylmethoxymethyl)-1,2-oxazole
SMILESC=CCc1ccc(OC)c(-c2cc(COCc3ccccc3)on2)c1
InChIInChI=1S/C21H21NO3/c1-3-7-16-10-11-21(23-2)19(12-16)20-13-18(25-22-20)15-24-14-17-8-5-4-6-9-17/h3-6,8-13H,1,7,14-15H2,2H3
InChIKeyXVYRNMYGUYNGKS-UHFFFAOYSA-N
XLogP4.80
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-prop-2-enylphenyl)-5-(phenylmethoxymethyl)-1,2-oxazole?
The IUPAC name of 3-(2-methoxy-5-prop-2-enylphenyl)-5-(phenylmethoxymethyl)-1,2-oxazole (CID 155528342) is 3-(2-methoxy-5-prop-2-enylphenyl)-5-(phenylmethoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-(2-methoxy-5-prop-2-enylphenyl)-5-(phenylmethoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-(2-methoxy-5-prop-2-enylphenyl)-5-(phenylmethoxymethyl)-1,2-oxazole is C=CCc1ccc(OC)c(-c2cc(COCc3ccccc3)on2)c1.
What is the InChIKey of 3-(2-methoxy-5-prop-2-enylphenyl)-5-(phenylmethoxymethyl)-1,2-oxazole?
The InChIKey is XVYRNMYGUYNGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-3-7-16-10-11-21(23-2)19(12-16)20-13-18(25-22-20)15-24-14-17-8-5-4-6-9-17/h3-6,8-13H,1,7,14-15H2,2H3.
What are the key properties of 3-(2-methoxy-5-prop-2-enylphenyl)-5-(phenylmethoxymethyl)-1,2-oxazole?
3-(2-methoxy-5-prop-2-enylphenyl)-5-(phenylmethoxymethyl)-1,2-oxazole has a molecular weight of 335.40 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-prop-2-enylphenyl)-5-(phenylmethoxymethyl)-1,2-oxazole is sourced from PubChem (CID 155528342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).