methyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate

C13H14F3NO3 — CID 102287563

IUPACmethyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate
SMILESCOC(=O)CC1(C(F)(F)F)N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C13H14F3NO3/c1-19-11(18)7-12(13(14,15)16)17-10(8-20-12)9-5-3-2-4-6-9/h2-6,10,17H,7-8H2,1H3/t10-,12?/m1/s1
InChIKeyZTKPVVLWTQUTHE-RWANSRKNSA-N
MW289.25 g/mol
LogP2.17
Rot. Bonds3

About methyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate

methyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate (PubChem CID 102287563) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is methyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate
PubChem CID102287563
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Namemethyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate
SMILESCOC(=O)CC1(C(F)(F)F)N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C13H14F3NO3/c1-19-11(18)7-12(13(14,15)16)17-10(8-20-12)9-5-3-2-4-6-9/h2-6,10,17H,7-8H2,1H3/t10-,12?/m1/s1
InChIKeyZTKPVVLWTQUTHE-RWANSRKNSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate
CID 15953649
(3S,5R)-5-Phenyl-3-(prop-2-en-1-yl)-3-(trifluoromethyl)morpholin-2-one
CID 15953651
2-(Trifluoromethyl)-4alpha-phenyloxazolidine
CID 11492233
Methyl 2-(2-fluorophenyl)-1,3-oxazolidine-4-carboxylate
CID 169422824
(4R)-2-methyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine
CID 16081879
ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]butanoate
CID 11220456
Oxazolidine, 4-phenyl-2-(trifluoromethyl)-, (2S,4R)-
CID 11447265
ethyl (3R)-4,4,4-trifluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]butanoate
CID 24813514
ethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate
CID 53248435
2-Trifluoromethyl-4-phenyltetrahydrooxazole
CID 72965222
(3S,5S)-3-phenyl-5-(trifluoromethyl)-1,4-oxazepan-7-one
CID 102287566
ethyl (3S)-2,2-difluoro-3-[[(1R)-2-methoxy-1-phenylethyl]amino]-4-methylpentanoate
CID 135004398

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate?
The IUPAC name of methyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate (CID 102287563) is methyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate is COC(=O)CC1(C(F)(F)F)N[C@@H](c2ccccc2)CO1.
What is the InChIKey of methyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate?
The InChIKey is ZTKPVVLWTQUTHE-RWANSRKNSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-19-11(18)7-12(13(14,15)16)17-10(8-20-12)9-5-3-2-4-6-9/h2-6,10,17H,7-8H2,1H3/t10-,12?/m1/s1.
What are the key properties of methyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate?
methyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate has a molecular weight of 289.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4S)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate is sourced from PubChem (CID 102287563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).