2-[4-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydro-1,3-oxazol-2-yl]aniline

C19H19F3N2O — CID 69090332

IUPAC2-[4-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydro-1,3-oxazol-2-yl]aniline
SMILESCC(CC1COC(c2ccccc2N)=N1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O/c1-12(13-6-8-14(9-7-13)19(20,21)22)10-15-11-25-18(24-15)16-4-2-3-5-17(16)23/h2-9,12,15H,10-11,23H2,1H3
InChIKeyHKIJEZPEKGIQSZ-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.63
Rot. Bonds4

About 2-[4-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydro-1,3-oxazol-2-yl]aniline

2-[4-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydro-1,3-oxazol-2-yl]aniline (PubChem CID 69090332) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[4-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydro-1,3-oxazol-2-yl]aniline.

Molecular Properties

Compound Name2-[4-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydro-1,3-oxazol-2-yl]aniline
PubChem CID69090332
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name2-[4-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydro-1,3-oxazol-2-yl]aniline
SMILESCC(CC1COC(c2ccccc2N)=N1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O/c1-12(13-6-8-14(9-7-13)19(20,21)22)10-15-11-25-18(24-15)16-4-2-3-5-17(16)23/h2-9,12,15H,10-11,23H2,1H3
InChIKeyHKIJEZPEKGIQSZ-UHFFFAOYSA-N
XLogP4.63
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydro-1,3-oxazol-2-yl]aniline?
The IUPAC name of 2-[4-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydro-1,3-oxazol-2-yl]aniline (CID 69090332) is 2-[4-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydro-1,3-oxazol-2-yl]aniline.
What is the SMILES notation for 2-[4-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydro-1,3-oxazol-2-yl]aniline?
The canonical SMILES for 2-[4-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydro-1,3-oxazol-2-yl]aniline is CC(CC1COC(c2ccccc2N)=N1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydro-1,3-oxazol-2-yl]aniline?
The InChIKey is HKIJEZPEKGIQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-12(13-6-8-14(9-7-13)19(20,21)22)10-15-11-25-18(24-15)16-4-2-3-5-17(16)23/h2-9,12,15H,10-11,23H2,1H3.
What are the key properties of 2-[4-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydro-1,3-oxazol-2-yl]aniline?
2-[4-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydro-1,3-oxazol-2-yl]aniline has a molecular weight of 348.37 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(trifluoromethyl)phenyl]propyl]-4,5-dihydro-1,3-oxazol-2-yl]aniline is sourced from PubChem (CID 69090332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).