Benzoxazole, 2,2'-(1,3-propanediyl)bis-
Basic information
- CAS
7210-09-5- Standard SMILES
c1ccc2oc(CCCc3nc4ccccc4o3)nc2c1- InChIKey
ZKZOCZAJZUTROX-UHFFFAOYSA-N- Molecular formula
- C17H14N2O2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.10552769
Names & identifiers
- Preferred name
- Benzoxazole, 2,2'-(1,3-propanediyl)bis-
- IUPAC
- 2-[3-(1,3-benzoxazol-2-yl)propyl]-1,3-benzoxazole
Names & synonyms
7210-09-5Benzoxazole, 2,2'-(1,3-propanediyl)bis-DTXSID80354078RefChem:328242DTXCID803051412-[3-(1,3-benzoxazol-2-yl)propyl]-1,3-benzoxazole2,2'-(Propane-1,3-diyl)bis(1,3-benzoxazole)ChemDiv3_000349Oprea1_633201Oprea1_645699SCHEMBL9642061ZKZOCZAJZUTROX-UHFFFAOYSA-N
Show more names
HMS1473P191,3-bis-(bezoxazole-2-yl)-propane1,3-bis-(benzoxazole-2-yl)-propane1,3-bis(benzo[d]oxazol-2-yl)propaneAKOS001482446CCG-103400IDI1_019667SR-01000391705
Database identifiers
- CAS
7210-09-5- PubChem CID
- 762901
- DTXSID
DTXSID80354078
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 320
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Related reactions
2 records
Compound notes
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