Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 4,5,6,7-tetrahydro-5-(chloromethyl)-6,7-diphenyl-
Basic information
- CAS
165611-08-5- Standard SMILES
NC(=O)c1noc2c1NC(CCl)N(c1ccccc1)C2c1ccccc1- InChIKey
PRTNGIUCSPNITQ-UHFFFAOYSA-N- Molecular formula
- C19H17ClN4O2
- Average molar mass
- 368.8 g/mol
- Monoisotopic mass
- 368.1040035
Names & identifiers
- Preferred name
- Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 4,5,6,7-tetrahydro-5-(chloromethyl)-6,7-diphenyl-
- IUPAC
- 5-(chloromethyl)-6,7-diphenyl-5,7-dihydro-4H-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxamide
Names & synonyms
4,5,6,7-Tetrahydro-5-(chloromethyl)-6,7-diphenylisoxazolo(4,5-d)pyrimidine-3-carboxamide165611-08-5Isoxazolo(4,5-d)pyrimidine-3-carboxamide, 4,5,6,7-tetrahydro-5-(chloromethyl)-6,7-diphenyl-RefChem:350299DTXSID109371115-(Chloromethyl)-6,7-diphenyl-4,5,6,7-tetrahydro[1,2]oxazolo[4,5-d]pyrimidine-3-carboximidic acid
Database identifiers
- CAS
165611-08-5- PubChem CID
- 3074871
- DTXSID
DTXSID10937111- Nikkaji
- J647.839E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 496
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Compound notes
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