5-(2-Nitrophenyl)oxazole - CAS 89808-75-3
Catalog: |
BB039607 |
Product Name: |
5-(2-Nitrophenyl)oxazole |
CAS: |
89808-75-3 |
Synonyms: |
5-(2-nitrophenyl)oxazole; 5-(2-nitrophenyl)-1,3-oxazole |
IUPAC Name: | 5-(2-nitrophenyl)-1,3-oxazole |
Description: | 5-(2-Nitrophenyl)oxazole (CAS# 89808-75-3) is a useful research chemical. |
Molecular Weight: | 190.16 |
Molecular Formula: | C9H6N2O3 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=CN=CO2)[N+](=O)[O-] |
InChI: | InChI=1S/C9H6N2O3/c12-11(13)8-4-2-1-3-7(8)9-5-10-6-14-9/h1-6H |
InChI Key: | PUDNRGZVFKPHNG-UHFFFAOYSA-N |
Boiling Point: | 334.3 °C at 760 mmHg |
Density: | 1.333 g/cm3 |
LogP: | 2.77300 |
GHS Hazard Statement: | H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-1768977-A2 | Compounds useful for inhibiting chk1 | 20040702 |
US-2008214573-A1 | Compounds Useful for Inhibiting Chk1 | 20040702 |
US-7560462-B2 | Compounds useful for inhibiting CHK1 | 20040702 |
WO-2006014359-A2 | Compounds useful for inhibiting chk1 | 20040702 |
CA-2521056-A1 | Hydrazone derivative | 20030331 |
PMID | Publication Date | Title | Journal |
31753802 | 20200101 | Design, synthesis and biological evaluation of imidazole and oxazole fragments as HIV-1 integrase-LEDGF/p75 disruptors and inhibitors of microbial pathogens | Bioorganic & medicinal chemistry |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.03784206 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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Oxazole/Thiazole
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