Basic information
- CAS
7420-86-2- Standard SMILES
Cc1ccc2oc(-c3ccccc3)nc2c1- InChIKey
RDBLNMQDEWOUIB-UHFFFAOYSA-N- Molecular formula
- C14H11NO
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.08406397
Names & identifiers
- Preferred name
- 2-Phenyl-5-methylbenzoxazole
- IUPAC
- 5-methyl-2-phenyl-1,3-benzoxazole
- English name
- 5-methyl-2-phenylbenzoxazole
- Molecular formula
- C14H11NO
- Molecular weight
- 209.24
Names & synonyms
5-Methyl-2-phenylbenzoxazole7420-86-2Witisol51X3IK0GBZ2-phenyl-5-methylbenzoxazoleDTXSID60225196RefChem:9102072-phenyl-5-methyl-benzoxazoleDTXCID60147687231-040-95-methyl-2-phenyl-1,3-benzoxazole5-Methyl-2-phenyl-benzooxazole
Show more names
Benzoxazole, 5-methyl-2-phenyl-
5-methyl-2-phenylbenzo[d]oxazoleMLS000528167Benzoxazole,5-methyl-2-phenyl-SMR000120742UNII-51X3IK0GBZEINECS 231-040-9ChemDiv2_002859cid_81919
Database identifiers
- CAS
7420-86-2- PubChem CID
- 81919
- DTXSID
DTXSID60225196- ChEMBL
CHEMBL442925- UNII
- 51X3IK0GBZ
- EC Number
- 231-040-9
- Nikkaji
- J278.824A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 108 °C · 108 °C
- Boiling point
- 314.7 · 314.7±11.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- pka
- 2 · 2+-.0.10(Predicted)
- FDA UNII
- 51 X3IK0GBZ · 51X3IK0GBZ
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Related reactions
7 records
Compound notes
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