5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole

C16H16FNO4 — CID 19958731

IUPAC5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(/C=C/c2c(F)cccc2OCC2CO2)on1
InChIInChI=1S/C16H16FNO4/c1-19-8-11-7-12(22-18-11)5-6-14-15(17)3-2-4-16(14)21-10-13-9-20-13/h2-7,13H,8-10H2,1H3/b6-5+
InChIKeyKKBRTSYAWSQBPG-AATRIKPKSA-N
MW305.31 g/mol
LogP2.91
Rot. Bonds7

About 5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole

5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole (PubChem CID 19958731) has the molecular formula C16H16FNO4 and a molecular weight of 305.31 g/mol. Its IUPAC name is 5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole
PubChem CID19958731
Molecular FormulaC16H16FNO4
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC Name5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(/C=C/c2c(F)cccc2OCC2CO2)on1
InChIInChI=1S/C16H16FNO4/c1-19-8-11-7-12(22-18-11)5-6-14-15(17)3-2-4-16(14)21-10-13-9-20-13/h2-7,13H,8-10H2,1H3/b6-5+
InChIKeyKKBRTSYAWSQBPG-AATRIKPKSA-N
XLogP2.91
TPSA57.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole (CID 19958731) is 5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole is COCc1cc(/C=C/c2c(F)cccc2OCC2CO2)on1.
What is the InChIKey of 5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole?
The InChIKey is KKBRTSYAWSQBPG-AATRIKPKSA-N. The full InChI is InChI=1S/C16H16FNO4/c1-19-8-11-7-12(22-18-11)5-6-14-15(17)3-2-4-16(14)21-10-13-9-20-13/h2-7,13H,8-10H2,1H3/b6-5+.
What are the key properties of 5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole?
5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole has a molecular weight of 305.31 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 19958731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).