Methyl 2-(4-Methoxybenzyl)oxazole-4-carboxylate - CAS 852639-65-7
Catalog: |
BB037566 |
Product Name: |
Methyl 2-(4-Methoxybenzyl)oxazole-4-carboxylate |
CAS: |
852639-65-7 |
Synonyms: |
2-[(4-methoxyphenyl)methyl]-4-oxazolecarboxylic acid methyl ester; methyl 2-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylate |
IUPAC Name: | methyl 2-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylate |
Description: | Methyl 2-(4-Methoxybenzyl)oxazole-4-carboxylate (CAS# 852639-65-7 ) is a useful research chemical. |
Molecular Weight: | 247.25 |
Molecular Formula: | C13H13NO4 |
Canonical SMILES: | COC1=CC=C(C=C1)CC2=NC(=CO2)C(=O)OC |
InChI: | InChI=1S/C13H13NO4/c1-16-10-5-3-9(4-6-10)7-12-14-11(8-18-12)13(15)17-2/h3-6,8H,7H2,1-2H3 |
InChI Key: | DBLIKVDKOPXALG-UHFFFAOYSA-N |
LogP: | 2.06060 |
Publication Number | Title | Priority Date |
AU-2004290581-A1 | Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters | 20031114 |
AU-2004290581-B2 | Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters | 20031114 |
CA-2545719-A1 | Thiazoles and oxazoles useful as modulators of atp-binding cassette transporters | 20031114 |
EP-1682127-A1 | Thiazoles and oxazoles useful as modulators of atp-binding cassette transporters | 20031114 |
EP-1682127-B1 | Thiazoles and oxazoles useful as modulators of atp-binding cassette transporters | 20031114 |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.0844579 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.0844579 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 61.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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