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

C15H15NO4 — CID 19958695

IUPAC3-methoxy-5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-1,2-oxazole
SMILESCOc1cc(/C=C/c2ccccc2OCC2CO2)on1
InChIInChI=1S/C15H15NO4/c1-17-15-8-12(20-16-15)7-6-11-4-2-3-5-14(11)19-10-13-9-18-13/h2-8,13H,9-10H2,1H3/b7-6+
InChIKeyMYEVZFNKQKDSIP-VOTSOKGWSA-N
MW273.29 g/mol
LogP2.63
Rot. Bonds6

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

3-methoxy-5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-1,2-oxazole (PubChem CID 19958695) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-methoxy-5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methoxy-5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-1,2-oxazole
PubChem CID19958695
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3-methoxy-5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-1,2-oxazole
SMILESCOc1cc(/C=C/c2ccccc2OCC2CO2)on1
InChIInChI=1S/C15H15NO4/c1-17-15-8-12(20-16-15)7-6-11-4-2-3-5-14(11)19-10-13-9-18-13/h2-8,13H,9-10H2,1H3/b7-6+
InChIKeyMYEVZFNKQKDSIP-VOTSOKGWSA-N
XLogP2.63
TPSA57.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Butoxy-phenyl)-isoxazole
CID 11183547
3-Methyl-5-(2-phenylmethoxyphenyl)-1,2-oxazole
CID 164614812
Methyl 3-(benzyloxy)isoxazole-5-carboxylate
CID 5324203
3-(Benzyloxy)isoxazole-5-carbaldehyde
CID 5324206
(1R)-1-(3-phenylmethoxy-1,2-oxazol-5-yl)prop-2-en-1-ol
CID 17756551
3,5-Dimethyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole
CID 24225547
5-[(E)-2-(2-methoxyphenyl)ethenyl]-3-methyl-1,2-oxazole
CID 5898816
[(1S)-1-(2-fluorophenyl)ethyl] 3-methoxy-1,2-oxazole-5-carboxylate
CID 97823043
5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(trifluoromethyl)-1,2-oxazole
CID 19958682
5-[(E)-2-[2-fluoro-6-(oxiran-2-ylmethoxy)phenyl]ethenyl]-3-(methoxymethyl)-1,2-oxazole
CID 19958731
Methyl 3-[(4-fluorophenyl)methoxy]-1,2-oxazole-5-carboxylate
CID 53808905
Methyl 3-[(3-fluorophenyl)methoxy]-1,2-oxazole-5-carboxylate
CID 53847154

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-1,2-oxazole?
The IUPAC name of 3-methoxy-5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-1,2-oxazole (CID 19958695) is 3-methoxy-5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-1,2-oxazole.
What is the SMILES notation for 3-methoxy-5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-1,2-oxazole?
The canonical SMILES for 3-methoxy-5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-1,2-oxazole is COc1cc(/C=C/c2ccccc2OCC2CO2)on1.
What is the InChIKey of 3-methoxy-5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-1,2-oxazole?
The InChIKey is MYEVZFNKQKDSIP-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H15NO4/c1-17-15-8-12(20-16-15)7-6-11-4-2-3-5-14(11)19-10-13-9-18-13/h2-8,13H,9-10H2,1H3/b7-6+.
What are the key properties of 3-methoxy-5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-1,2-oxazole?
3-methoxy-5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-1,2-oxazole has a molecular weight of 273.29 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(E)-2-[2-(oxiran-2-ylmethoxy)phenyl]ethenyl]-1,2-oxazole is sourced from PubChem (CID 19958695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).