Basic information
- Standard SMILES
O=C(O)c1cccc2oc(C3CCCC3)nc12- InChIKey
WBFIXMSCZXIPQV-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.08954328
Names & identifiers
- Preferred name
- 2-Cyclopentylbenzoxazole-4-carboxylic acid
- IUPAC
- 2-cyclopentyl-1,3-benzoxazole-4-carboxylic acid
Names & synonyms
SCHEMBL4317333WBFIXMSCZXIPQV-UHFFFAOYSA-NAKOS0199190182-cyclopentylbenzoxazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 69000686
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
Related reactions
2 records
Compound notes
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