2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol

C22H23F3N2O2 — CID 166372321

IUPAC2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol
SMILESCCN(Cc1coc(-c2ccccc2C(F)(F)F)n1)C(C)C(O)c1ccccc1
InChIInChI=1S/C22H23F3N2O2/c1-3-27(15(2)20(28)16-9-5-4-6-10-16)13-17-14-29-21(26-17)18-11-7-8-12-19(18)22(23,24)25/h4-12,14-15,20,28H,3,13H2,1-2H3
InChIKeyLIOQTMDNCPQDDE-UHFFFAOYSA-N
MW404.43 g/mol
LogP5.30
Rot. Bonds7

About 2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol

2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol (PubChem CID 166372321) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol
PubChem CID166372321
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol
SMILESCCN(Cc1coc(-c2ccccc2C(F)(F)F)n1)C(C)C(O)c1ccccc1
InChIInChI=1S/C22H23F3N2O2/c1-3-27(15(2)20(28)16-9-5-4-6-10-16)13-17-14-29-21(26-17)18-11-7-8-12-19(18)22(23,24)25/h4-12,14-15,20,28H,3,13H2,1-2H3
InChIKeyLIOQTMDNCPQDDE-UHFFFAOYSA-N
XLogP5.30
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol?
The IUPAC name of 2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol (CID 166372321) is 2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol is CCN(Cc1coc(-c2ccccc2C(F)(F)F)n1)C(C)C(O)c1ccccc1.
What is the InChIKey of 2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol?
The InChIKey is LIOQTMDNCPQDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c1-3-27(15(2)20(28)16-9-5-4-6-10-16)13-17-14-29-21(26-17)18-11-7-8-12-19(18)22(23,24)25/h4-12,14-15,20,28H,3,13H2,1-2H3.
What are the key properties of 2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol?
2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol has a molecular weight of 404.43 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 166372321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).