2-Amino-5-phenyl-1,3,4-oxadiazole - CAS 1612-76-6
Catalog: |
BB011721 |
Product Name: |
2-Amino-5-phenyl-1,3,4-oxadiazole |
CAS: |
1612-76-6 |
Synonyms: |
5-phenyl-1,3,4-oxadiazol-2-amine |
IUPAC Name: | 5-phenyl-1,3,4-oxadiazol-2-amine |
Description: | 5-Phenyl-1,3,4-oxadiazol-2-amine can be used as a pH indicator in the acidic range in living cells due to the fluorescence the compound gives off when in an acidic environment. |
Molecular Weight: | 161.16 |
Molecular Formula: | C8H7N3O |
Canonical SMILES: | C1=CC=C(C=C1)C2=NN=C(O2)N |
InChI: | InChI=1S/C8H7N3O/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11) |
InChI Key: | CQSFYCBGVMWPCM-UHFFFAOYSA-N |
Boiling Point: | 332.3 °C at 760 mmHg |
Density: | 1.276 g/cm3 |
MDL: | MFCD00126383 |
LogP: | 1.90000 |
GHS Hazard Statement: | H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110759955-A | Preparation method of Mannich base containing ferrocenyl thiadiazole or oxadiazolyl | 20191119 |
CN-110878106-A | Preparation method of Mannich base containing ferrocenyl thiadiazole or oxadiazolyl | 20191119 |
CN-110627783-A | Preparation method of Schiff base containing carbazolyl and oxadiazolyl or thiadiazolyl | 20191023 |
WO-2020219792-A1 | Cf3-, ocf3-, scf3- and sf5-containing antibacterial agents | 20190426 |
WO-2020196327-A1 | Production method of quinolinecarboxamide derivative or production intermediate thereof | 20190322 |
PMID | Publication Date | Title | Journal |
23125818 | 20121001 | 5-Phenyl-1,3,4-oxadiazol-2-amine | Acta crystallographica. Section E, Structure reports online |
22590086 | 20120501 | Tetra-kis[μ(3)-4-nitro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamidato]tetra-kis-[methano-lsodium(I)] | Acta crystallographica. Section E, Structure reports online |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.058911855 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.058911855 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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