(2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one

C19H18F3NO4 — CID 154297304

IUPAC(2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one
SMILESC[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)N1CCCO1
InChIInChI=1S/C19H18F3NO4/c1-13(18(24)23-11-2-12-25-23)26-15-7-9-17(10-8-15)27-16-5-3-14(4-6-16)19(20,21)22/h3-10,13H,2,11-12H2,1H3/t13-/m1/s1
InChIKeyPBOPETMLHMMXIP-CYBMUJFWSA-N
MW381.35 g/mol
LogP4.43
Rot. Bonds5

About (2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one

(2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one (PubChem CID 154297304) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is (2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one
PubChem CID154297304
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name(2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one
SMILESC[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)N1CCCO1
InChIInChI=1S/C19H18F3NO4/c1-13(18(24)23-11-2-12-25-23)26-15-7-9-17(10-8-15)27-16-5-3-14(4-6-16)19(20,21)22/h3-10,13H,2,11-12H2,1H3/t13-/m1/s1
InChIKeyPBOPETMLHMMXIP-CYBMUJFWSA-N
XLogP4.43
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one with MolForge

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Related Compounds

azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanethioic S-acid
CID 20555453
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
methyl (4R)-3-oxo-4-[4-[4-(trifluoromethyl)phenoxy]phenoxy]pentanoate
CID 13472766
potassium N-[2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoylamino]carbamodithioate
CID 139682382
2-(4-tert-butylphenoxy)-1-[4-[2-(4-tert-butylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 17046898
(cyclopentylideneamino)oxymethyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 12852253
2-(2-chloroacetyl)oxyethynyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 158004558
butyl (2R)-2-[4-(trifluoromethyl)phenoxy]propanoate
CID 102301970
methyl 4-[2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoyloxy]benzoate
CID 150992309
(2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 158170724
1-phenyl-2-[4-(trifluoromethyl)phenoxy]propan-1-one
CID 60624061

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one?
The IUPAC name of (2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one (CID 154297304) is (2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one.
What is the SMILES notation for (2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one?
The canonical SMILES for (2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one is C[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)N1CCCO1.
What is the InChIKey of (2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one?
The InChIKey is PBOPETMLHMMXIP-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-13(18(24)23-11-2-12-25-23)26-15-7-9-17(10-8-15)27-16-5-3-14(4-6-16)19(20,21)22/h3-10,13H,2,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one?
(2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one has a molecular weight of 381.35 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,2-oxazolidin-2-yl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propan-1-one is sourced from PubChem (CID 154297304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).