(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate

C19H18F3NO3 — CID 4678505

IUPAC(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate
SMILESCN1OC(COC(=O)c2cccc(C(F)(F)F)c2)CC1c1ccccc1
InChIInChI=1S/C19H18F3NO3/c1-23-17(13-6-3-2-4-7-13)11-16(26-23)12-25-18(24)14-8-5-9-15(10-14)19(20,21)22/h2-10,16-17H,11-12H2,1H3
InChIKeyPZEDNXMKKOWWMT-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.24
Rot. Bonds4

About (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate

(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate (PubChem CID 4678505) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate
PubChem CID4678505
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate
SMILESCN1OC(COC(=O)c2cccc(C(F)(F)F)c2)CC1c1ccccc1
InChIInChI=1S/C19H18F3NO3/c1-23-17(13-6-3-2-4-7-13)11-16(26-23)12-25-18(24)14-8-5-9-15(10-14)19(20,21)22/h2-10,16-17H,11-12H2,1H3
InChIKeyPZEDNXMKKOWWMT-UHFFFAOYSA-N
XLogP4.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl benzoate
CID 3660797
4-[3-(trifluoromethyl)benzoyl]oxybutanoic acid
CID 126727259
bromo 3-(trifluoromethyl)benzoate
CID 121344380
2-methylprop-2-enyl 3-(trifluoromethyl)benzoate
CID 78789073
2-ethoxyethyl 3-(trifluoromethyl)benzoate
CID 78788467
[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl benzoate
CID 59778054
octadecyl 3-(trifluoromethyl)benzoate
CID 605694
(2-ethylcyclohexyl) 3-(trifluoromethyl)benzoate
CID 599330
ethyl 2-phenyl-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42728521
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120743867
[2-(tert-butylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504289
piperidin-4-yl 3-(trifluoromethyl)benzoate
CID 162771690

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate?
The IUPAC name of (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate (CID 4678505) is (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate.
What is the SMILES notation for (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate?
The canonical SMILES for (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate is CN1OC(COC(=O)c2cccc(C(F)(F)F)c2)CC1c1ccccc1.
What is the InChIKey of (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate?
The InChIKey is PZEDNXMKKOWWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-23-17(13-6-3-2-4-7-13)11-16(26-23)12-25-18(24)14-8-5-9-15(10-14)19(20,21)22/h2-10,16-17H,11-12H2,1H3.
What are the key properties of (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate?
(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate has a molecular weight of 365.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl 3-(trifluoromethyl)benzoate is sourced from PubChem (CID 4678505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).