methyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate

C14H13F3N2O3 — CID 66636924

IUPACmethyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate
SMILESCOC(=O)[C@H](C)c1ccc(Nc2nc(C(F)(F)F)co2)cc1
InChIInChI=1S/C14H13F3N2O3/c1-8(12(20)21-2)9-3-5-10(6-4-9)18-13-19-11(7-22-13)14(15,16)17/h3-8H,1-2H3,(H,18,19)/t8-/m1/s1
InChIKeyPPKBYPLNKPIWLX-MRVPVSSYSA-N
MW314.26 g/mol
LogP3.71
Rot. Bonds4

About methyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate

methyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate (PubChem CID 66636924) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is methyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate
PubChem CID66636924
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC Namemethyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate
SMILESCOC(=O)[C@H](C)c1ccc(Nc2nc(C(F)(F)F)co2)cc1
InChIInChI=1S/C14H13F3N2O3/c1-8(12(20)21-2)9-3-5-10(6-4-9)18-13-19-11(7-22-13)14(15,16)17/h3-8H,1-2H3,(H,18,19)/t8-/m1/s1
InChIKeyPPKBYPLNKPIWLX-MRVPVSSYSA-N
XLogP3.71
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate?
The IUPAC name of methyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate (CID 66636924) is methyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate.
What is the SMILES notation for methyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate?
The canonical SMILES for methyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate is COC(=O)[C@H](C)c1ccc(Nc2nc(C(F)(F)F)co2)cc1.
What is the InChIKey of methyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate?
The InChIKey is PPKBYPLNKPIWLX-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c1-8(12(20)21-2)9-3-5-10(6-4-9)18-13-19-11(7-22-13)14(15,16)17/h3-8H,1-2H3,(H,18,19)/t8-/m1/s1.
What are the key properties of methyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate?
methyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate has a molecular weight of 314.26 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]amino]phenyl]propanoate is sourced from PubChem (CID 66636924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).