N-[4-[4-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide

C13H9F3N2O2 — CID 166924886

IUPACN-[4-[4-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2nocc2C(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O2/c1-2-11(19)17-9-5-3-8(4-6-9)12-10(7-20-18-12)13(14,15)16/h2-7H,1H2,(H,17,19)
InChIKeyAAALXJQLPRGTBG-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.48
Rot. Bonds3

About N-[4-[4-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide

N-[4-[4-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide (PubChem CID 166924886) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[4-[4-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide
PubChem CID166924886
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC NameN-[4-[4-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2nocc2C(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O2/c1-2-11(19)17-9-5-3-8(4-6-9)12-10(7-20-18-12)13(14,15)16/h2-7H,1H2,(H,17,19)
InChIKeyAAALXJQLPRGTBG-UHFFFAOYSA-N
XLogP3.48
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[4-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide (CID 166924886) is N-[4-[4-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[4-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[4-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(-c2nocc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-[4-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide?
The InChIKey is AAALXJQLPRGTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c1-2-11(19)17-9-5-3-8(4-6-9)12-10(7-20-18-12)13(14,15)16/h2-7H,1H2,(H,17,19).
What are the key properties of N-[4-[4-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide?
N-[4-[4-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide has a molecular weight of 282.22 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 166924886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).