N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline

C18H15F3N2O — CID 139985864

IUPACN-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline
SMILESFC(F)(F)C(=CC1=NC(c2ccccc2)CO1)Nc1ccccc1
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)16(22-14-9-5-2-6-10-14)11-17-23-15(12-24-17)13-7-3-1-4-8-13/h1-11,15,22H,12H2
InChIKeyUCPGXKNCKSVEKP-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.71
Rot. Bonds4

About N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline

N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline (PubChem CID 139985864) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline.

Molecular Properties

Compound NameN-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline
PubChem CID139985864
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC NameN-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline
SMILESFC(F)(F)C(=CC1=NC(c2ccccc2)CO1)Nc1ccccc1
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)16(22-14-9-5-2-6-10-14)11-17-23-15(12-24-17)13-7-3-1-4-8-13/h1-11,15,22H,12H2
InChIKeyUCPGXKNCKSVEKP-UHFFFAOYSA-N
XLogP4.71
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline?
The IUPAC name of N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline (CID 139985864) is N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline.
What is the SMILES notation for N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline?
The canonical SMILES for N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline is FC(F)(F)C(=CC1=NC(c2ccccc2)CO1)Nc1ccccc1.
What is the InChIKey of N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline?
The InChIKey is UCPGXKNCKSVEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c19-18(20,21)16(22-14-9-5-2-6-10-14)11-17-23-15(12-24-17)13-7-3-1-4-8-13/h1-11,15,22H,12H2.
What are the key properties of N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline?
N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline has a molecular weight of 332.33 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3,3-trifluoro-1-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)prop-1-en-2-yl]aniline is sourced from PubChem (CID 139985864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).