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Basic information
- CAS
78233-96-2- Standard SMILES
O=C(NC(C(=O)O)C1CC(Cl)=NO1)OCC1c2ccccc2-c2ccccc21- InChIKey
BQADQSATVQNKNC-UHFFFAOYSA-N- Molecular formula
- C20H17ClN2O5
- Average molar mass
- 400.8 g/mol
- Monoisotopic mass
- 400.08259932
Names & identifiers
- Preferred name
- 2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
- IUPAC
- 2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Names & synonyms
78233-96-2NSC3290812-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acidSCHEMBL11040693DTXSID80318337BQADQSATVQNKNC-UHFFFAOYSA-NFluorenylmethoxy carbonyl AT-1255-Isoxazoleacetic acid,5-dihydro-NSC-329081U-58175(3-Chloro-4,5-dihydro-1,2-oxazol-5-yl)({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetic acid3 -chloro-alpha-[[(9H-fluoren-9-yl-methoxy)carbonyl]amino]-4,5-dihydro-5-isoxazole acetic acid
Show more names
3-chloro-alpha -[[(9H-fluoren-9ylmethoxy)carbonyl]amino]-4,5-dihydro-5-isoxazoleacetic acid3-chloro-alpha-[[ (9H-fluoren-9-ylmethoxy)carbonyl]amino]-4,5-dihydro-5-isoxazoleacetic acid3-chloro-alpha-[[(9H-fluoren-9-yl-methoxy)carbonyl]amino]-4,5-dihydro-5-isoxazole acetic acid3-chloro-alpha-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4,5-dihydro-5-isoxazoleacetic acid
Database identifiers
- CAS
78233-96-2- PubChem CID
- 332366
- DTXSID
DTXSID80318337
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 620
Related reactions
11 records
Compound notes
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