Basic information
- CAS
307540-40-5- Standard SMILES
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1- InChIKey
VFBCVZPRIVFGPB-UHFFFAOYSA-N- Molecular formula
- C21H16ClN5O4S
- Average molar mass
- 469.9 g/mol
- Monoisotopic mass
- 469.0611529
Names & identifiers
- Preferred name
- 3-(2-chlorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
- IUPAC
- 3-(2-chlorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
Names & synonyms
3-(2-chlorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide307540-40-5CBMicro_002003Oprea1_512870Oprea1_804413SMSF0015420STL362962AKOS000533515CB03483BIM-0001937.P001ST50186095AE-641/14575021
Show more names
SR-01000453207SR-01000453207-13-(2-CL-PH)-5-ME-N-(4-((2-PYRIMIDINYLAMINO)SULFONYL)PH)-4-ISOXAZOLECARBOXAMIDE[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]-N-{4-[(pyrimidin-2-ylamino)sulfonyl ]phenyl}carboxamide3-(2-chlorophenyl)-5-methyl-N-(4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)isoxazole-4-carboxamide3-(2-chlorophenyl)-5-methyl-N-{4-[(2-pyrimidinylamino)sulfonyl]phenyl}-4-isoxazolecarboxamide
Database identifiers
- CAS
307540-40-5- PubChem CID
- 978640
- EC Number
- 144-574-1
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 737
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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