2-(4-Methoxybenzyl)oxazole-4-carboxylic Acid - CAS 852639-66-8
Catalog: |
BB037567 |
Product Name: |
2-(4-Methoxybenzyl)oxazole-4-carboxylic Acid |
CAS: |
852639-66-8 |
Synonyms: |
2-[(4-methoxyphenyl)methyl]-4-oxazolecarboxylic acid; 2-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid |
IUPAC Name: | 2-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid |
Description: | 2-(4-Methoxybenzyl)oxazole-4-carboxylic Acid (CAS# 852639-66-8 ) is a useful research chemical. |
Molecular Weight: | 233.22 |
Molecular Formula: | C12H11NO4 |
Canonical SMILES: | COC1=CC=C(C=C1)CC2=NC(=CO2)C(=O)O |
InChI: | InChI=1S/C12H11NO4/c1-16-9-4-2-8(3-5-9)6-11-13-10(7-17-11)12(14)15/h2-5,7H,6H2,1H3,(H,14,15) |
InChI Key: | PHMRHRWRLBKRLU-UHFFFAOYSA-N |
LogP: | 0.00000 |
Publication Number | Title | Priority Date |
AU-2011287574-A1 | N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides as inhibitors of plasma kallikrein | 20100804 |
AU-2011287574-B2 | N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides as inhibitors of plasma kallikrein | 20100804 |
EA-021359-B1 | N - ((6-AMINOPIRIDIN-3-IL) METHYL) HETEROARILKARBOXAMIDES AS KALLYCREIN INHIBITORS IN PLASMA | 20100804 |
EP-2601189-A1 | N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides as inhibitors of plasma kallikrein | 20100804 |
EP-2601189-B1 | N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides as inhibitors of plasma kallikrein | 20100804 |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.06880783 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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