Basic information
- CAS
82608-05-7- Standard SMILES
Cn1c(=O)oc2cc(C(=O)CN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc21- InChIKey
XERIIBQQYDXGKO-UHFFFAOYSA-N- Molecular formula
- C21H20F3N3O3
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 419.14567599
Names & identifiers
- Preferred name
- 2-Benzoxazolinone, 3-methyl-6-((4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-piperazinyl)acetyl)-
- IUPAC
- 3-methyl-6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1,3-benzoxazol-2-one
- English name
- 2(3H)-Benzoxalzolone, 3-methyl-6-((4-(3-(trifluoromethyl)phenyl)-1-pip erazinyl)acetyl)-
- Molecular formula
- C21H20F3N3O3
- Molecular weight
- 419.3970096
Names & synonyms
82608-05-72-Benzoxazolinone, 3-methyl-6-((4-(alpha,alpha,alpha-trifluoro-m-tolyl)-4-piperazinyl)acetyl)-NSC 367965BRN 3636004DTXSID402319126-(4-(3-Trifluoromethylphenyl)-1-piperazinyl)acetyl-3-methylbenzoxazolinone2(3H)-Benzoxalzolone, 3-methyl-6-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)acetyl)-RefChem:256422DTXCID70154403NSC-367965NSC3679653-methyl-6-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1,3-benzoxazol-2-one
Show more names
2(3H)-Benzoxalzolone, 3-methyl-6-((4-(3-(trifluoromethyl)phenyl)-1-pip erazinyl)acetyl)-
A7WB2CD3R9XERIIBQQYDXGKO-UHFFFAOYSA-N3-Methyl-6-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}acetyl)-1,3-benzoxazol-2(3H)-one3-methyl-6-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}acetyl)-2,3-dihydro-1,3-benzoxazol-2-oneDS-0039182(3H)-Benzoxazolone, 3-methyl-6-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]acetyl]-3-Methyl-6-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]acetyl]-2(3H)-benzoxazolone3-Methyl-6-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}acetyl)-1,3-benzoxazol-2(3H)-one
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 651
Physicochemical properties
- FDA UNII
- 7 WB2CD3R9 · A7WB2CD3R9
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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