N-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide

C23H19F3N2O3 — CID 16738961

IUPACN-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide
SMILESO=C(CC1(c2ccccc2C(F)(F)F)CCC1)C(=O)Nc1cccc(-c2ccno2)c1
InChIInChI=1S/C23H19F3N2O3/c24-23(25,26)18-8-2-1-7-17(18)22(10-4-11-22)14-19(29)21(30)28-16-6-3-5-15(13-16)20-9-12-27-31-20/h1-3,5-9,12-13H,4,10-11,14H2,(H,28,30)
InChIKeyOIJGNPLXGBUQBT-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.38
Rot. Bonds6

About N-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide

N-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide (PubChem CID 16738961) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide.

Molecular Properties

Compound NameN-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide
PubChem CID16738961
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC NameN-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide
SMILESO=C(CC1(c2ccccc2C(F)(F)F)CCC1)C(=O)Nc1cccc(-c2ccno2)c1
InChIInChI=1S/C23H19F3N2O3/c24-23(25,26)18-8-2-1-7-17(18)22(10-4-11-22)14-19(29)21(30)28-16-6-3-5-15(13-16)20-9-12-27-31-20/h1-3,5-9,12-13H,4,10-11,14H2,(H,28,30)
InChIKeyOIJGNPLXGBUQBT-UHFFFAOYSA-N
XLogP5.38
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide?
The IUPAC name of N-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide (CID 16738961) is N-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide.
What is the SMILES notation for N-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide?
The canonical SMILES for N-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide is O=C(CC1(c2ccccc2C(F)(F)F)CCC1)C(=O)Nc1cccc(-c2ccno2)c1.
What is the InChIKey of N-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide?
The InChIKey is OIJGNPLXGBUQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c24-23(25,26)18-8-2-1-7-17(18)22(10-4-11-22)14-19(29)21(30)28-16-6-3-5-15(13-16)20-9-12-27-31-20/h1-3,5-9,12-13H,4,10-11,14H2,(H,28,30).
What are the key properties of N-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide?
N-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide has a molecular weight of 428.41 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2-oxazol-5-yl)phenyl]-2-oxo-3-[1-[2-(trifluoromethyl)phenyl]cyclobutyl]propanamide is sourced from PubChem (CID 16738961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).