Methyl 2-Benzyloxazole-4-carboxylate - CAS 100063-40-9
Catalog: |
BB000058 |
Product Name: |
Methyl 2-Benzyloxazole-4-carboxylate |
CAS: |
100063-40-9 |
Synonyms: |
2-(phenylmethyl)-4-oxazolecarboxylic acid methyl ester; methyl 2-benzyl-1,3-oxazole-4-carboxylate |
IUPAC Name: | methyl 2-benzyl-1,3-oxazole-4-carboxylate |
Description: | Methyl 2-Benzyloxazole-4-carboxylate (CAS# 100063-40-9 ) is a useful research chemical. |
Molecular Weight: | 217.22 |
Molecular Formula: | C12H11NO3 |
Canonical SMILES: | COC(=O)C1=COC(=N1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C12H11NO3/c1-15-12(14)10-8-16-11(13-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3 |
InChI Key: | LBFPAZDJJSLKCP-UHFFFAOYSA-N |
LogP: | 2.05200 |
Publication Number | Title | Priority Date |
US-2005130970-A1 | Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters | 20031114 |
US-2009018140-A1 | Thiazoles and oxazoles useful as modulators of atp-binding cassette transporters | 20031114 |
US-2011144123-A1 | Thiazoles and Oxazoles Useful as Modulators of ATP-Binding Cassette Transporters | 20031114 |
US-7407976-B2 | Thiazoles and oxazoles useful as modulators of ATP-Binding Cassette transporters | 20031114 |
US-7846951-B2 | Thiazoles and oxazoles useful as modulators of ATP-binding cassette transporters | 20031114 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.07389321 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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