3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide

C20H16F4N2O3 — CID 33373655

IUPAC3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C20H16F4N2O3/c21-14-7-5-13(6-8-14)17-11-25-19(29-17)10-9-18(27)26-15-3-1-2-4-16(15)28-12-20(22,23)24/h1-8,11H,9-10,12H2,(H,26,27)
InChIKeyHEPKPEBGVLLZQB-UHFFFAOYSA-N
MW408.35 g/mol
LogP4.99
Rot. Bonds7

About 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide (PubChem CID 33373655) has the molecular formula C20H16F4N2O3 and a molecular weight of 408.35 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
PubChem CID33373655
Molecular FormulaC20H16F4N2O3
Molecular Weight408.35 g/mol
Exact Mass408.11
IUPAC Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1OCC(F)(F)F
InChIInChI=1S/C20H16F4N2O3/c21-14-7-5-13(6-8-14)17-11-25-19(29-17)10-9-18(27)26-15-3-1-2-4-16(15)28-12-20(22,23)24/h1-8,11H,9-10,12H2,(H,26,27)
InChIKeyHEPKPEBGVLLZQB-UHFFFAOYSA-N
XLogP4.99
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.35
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490524
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-propoxyphenyl)propanamide
CID 46525988
[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490358
N-cyclopropyl-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]benzamide
CID 41353029
N-[4-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 16594505
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 18280238
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55912574
N-(2,5-dichlorophenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51511272
N-(2,4-dimethylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17438164
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-propoxyphenyl)propanamide
CID 46538866
N-(5-fluoro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 41356754

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide (CID 33373655) is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide is O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1OCC(F)(F)F.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The InChIKey is HEPKPEBGVLLZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O3/c21-14-7-5-13(6-8-14)17-11-25-19(29-17)10-9-18(27)26-15-3-1-2-4-16(15)28-12-20(22,23)24/h1-8,11H,9-10,12H2,(H,26,27).
What are the key properties of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide?
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide has a molecular weight of 408.35 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide is sourced from PubChem (CID 33373655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).