Basic information
- Standard SMILES
Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCCN(CC(=O)O)C2)cn1- InChIKey
HGHPLOZJXNYTMQ-UHFFFAOYSA-N- Molecular formula
- C24H26N4O5
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.19031994
Names & identifiers
- Preferred name
- (3-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-piperidin-1-yl)-acetic acid
- IUPAC
- 2-[3-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carbonyl]amino]piperidin-1-yl]acetic acid
Names & synonyms
SCHEMBL2929493CHEMBL3676493HGHPLOZJXNYTMQ-UHFFFAOYSA-NBDBM133358US8846719, 41(3-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-piperidin-1-yl)-acetic acid3-{[6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-piperidin-1-yl-acetic acid
Database identifiers
- PubChem CID
- 57520097
- ChEMBL
CHEMBL3676493
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 659
Related reactions
34 records
Compound notes
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