4-(2-(2-Chlorophenyl)-4-((4-chlorophenyl)sulfonyl)oxazol-5-yl)morpholine
Basic information
- CAS
300814-47-5- Standard SMILES
O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2Cl)oc1N1CCOCC1- InChIKey
VHMXEHYOUCTCIL-UHFFFAOYSA-N- Molecular formula
- C19H16Cl2N2O4S
- Average molar mass
- 439.3 g/mol
- Monoisotopic mass
- 438.0207836
Names & identifiers
- Preferred name
- 4-(2-(2-Chlorophenyl)-4-((4-chlorophenyl)sulfonyl)oxazol-5-yl)morpholine
- IUPAC
- 4-[2-(2-chlorophenyl)-4-(4-chlorophenyl)sulfonyl-1,3-oxazol-5-yl]morpholine
- English name
- Morpholine, 4-[2-(2-chlorophenyl)-4-[(4-chlorophenyl)sulfonyl]-5-oxazolyl]-
- Molecular formula
- C19H16Cl2N2O4S
- Molecular weight
- 439.31
Names & synonyms
300814-47-54-(2-(2-Chlorophenyl)-4-((4-chlorophenyl)sulfonyl)oxazol-5-yl)morpholine4-{2-(2-chlorophenyl)-4-[(4-chlorophenyl)sulfonyl]-1,3-oxazol-5-yl}morpholine4-(2-(2-CHLOROPHENYL)-4-((4-CHLOROPHENYL)SULFONYL)-1,3-OXAZOL-5-YL)MORPHOLINEOprea1_142360AKOS001653060CCG-111602ST0043434-[4-(4-chlorobenzene-1-sulfonyl)-2-(2-chlorophenyl)-1,3-oxazol-5-yl]morpholine4-chloro-1-{[2-(2-chlorophenyl)-5-morpholin-4-yl(1,3-oxazol-4-yl)]sulfonyl}ben zeneMorpholine, 4-[2-(2-chlorophenyl)-4-[(4-chlorophenyl)sulfonyl]-5-oxazolyl]-
Database identifiers
- CAS
300814-47-5- PubChem CID
- 987252
- EC Number
- 118-578-9
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 618
Physicochemical properties
- Boiling point
- 643.8 · 643.8±65.0 °C(Predicted)
- Density
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- pka
- -0.94 · -0.94±0.20(Predicted)
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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. 3 (100%)
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Compound notes
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