(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine

C14H15F3N2O — CID 102061813

IUPAC(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine
SMILESC[C@H](N/C(=C\C1=NCCO1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H15F3N2O/c1-10(11-5-3-2-4-6-11)19-12(14(15,16)17)9-13-18-7-8-20-13/h2-6,9-10,19H,7-8H2,1H3/b12-9-/t10-/m0/s1
InChIKeyHCFPJYQVEJQIPY-JMZICWNOSA-N
MW284.28 g/mol
LogP3.21
Rot. Bonds4

About (Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine

(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine (PubChem CID 102061813) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is (Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine
PubChem CID102061813
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine
SMILESC[C@H](N/C(=C\C1=NCCO1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H15F3N2O/c1-10(11-5-3-2-4-6-11)19-12(14(15,16)17)9-13-18-7-8-20-13/h2-6,9-10,19H,7-8H2,1H3/b12-9-/t10-/m0/s1
InChIKeyHCFPJYQVEJQIPY-JMZICWNOSA-N
XLogP3.21
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine with MolForge

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Related Compounds

N-[(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methylaniline
CID 10588089
[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]methanamine
CID 155718667
(1S)-1-[4-(3-fluorophenyl)-6H-1,3-oxazin-2-yl]ethanamine
CID 163490539
6-(2,3-Difluorophenyl)-4-ethoxy-1,2,5,8-tetrahydropteridin-2-amine
CID 173494026
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]prop-1-en-2-amine
CID 178169115
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-(1-phenylethyl)prop-1-en-2-amine
CID 10850598
(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)ethenamine
CID 15421797
(Z)-3-chloro-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3-difluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine
CID 101112396
(Z)-1-(2,4-difluorophenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)ethenamine
CID 101241172
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1R)-1-phenylethyl]prop-1-en-2-amine
CID 102061812
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 105906481
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,2,2-trifluoro-1-phenylethanamine
CID 105911400

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine?
The IUPAC name of (Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine (CID 102061813) is (Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine?
The canonical SMILES for (Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine is C[C@H](N/C(=C\C1=NCCO1)C(F)(F)F)c1ccccc1.
What is the InChIKey of (Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine?
The InChIKey is HCFPJYQVEJQIPY-JMZICWNOSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-10(11-5-3-2-4-6-11)19-12(14(15,16)17)9-13-18-7-8-20-13/h2-6,9-10,19H,7-8H2,1H3/b12-9-/t10-/m0/s1.
What are the key properties of (Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine?
(Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine has a molecular weight of 284.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4,5-dihydro-1,3-oxazol-2-yl)-3,3,3-trifluoro-N-[(1S)-1-phenylethyl]prop-1-en-2-amine is sourced from PubChem (CID 102061813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).