4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide

C13H11F3N2O2 — CID 70489070

IUPAC4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide
SMILESO=C(CC(c1ccccc1)C(F)(F)F)Nc1ncco1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)10(9-4-2-1-3-5-9)8-11(19)18-12-17-6-7-20-12/h1-7,10H,8H2,(H,17,18,19)
InChIKeyYGKIKIVGXGLWJK-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.35
Rot. Bonds4

About 4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide

4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide (PubChem CID 70489070) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide
PubChem CID70489070
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide
SMILESO=C(CC(c1ccccc1)C(F)(F)F)Nc1ncco1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)10(9-4-2-1-3-5-9)8-11(19)18-12-17-6-7-20-12/h1-7,10H,8H2,(H,17,18,19)
InChIKeyYGKIKIVGXGLWJK-UHFFFAOYSA-N
XLogP3.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide (CID 70489070) is 4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide is O=C(CC(c1ccccc1)C(F)(F)F)Nc1ncco1.
What is the InChIKey of 4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide?
The InChIKey is YGKIKIVGXGLWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)10(9-4-2-1-3-5-9)8-11(19)18-12-17-6-7-20-12/h1-7,10H,8H2,(H,17,18,19).
What are the key properties of 4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide?
4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide has a molecular weight of 284.24 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(1,3-oxazol-2-yl)-3-phenylbutanamide is sourced from PubChem (CID 70489070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).