2-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol

C25H25FN2O2 — CID 42838580

IUPAC2-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol
SMILESOC(CN(Cc1cccc(F)c1)CC1CC(c2ccccc2)=NO1)c1ccccc1
InChIInChI=1S/C25H25FN2O2/c26-22-13-7-8-19(14-22)16-28(18-25(29)21-11-5-2-6-12-21)17-23-15-24(27-30-23)20-9-3-1-4-10-20/h1-14,23,25,29H,15-18H2
InChIKeyJLXZQOAMERWRIH-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.55
Rot. Bonds8

About 2-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol

2-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol (PubChem CID 42838580) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol
PubChem CID42838580
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC Name2-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol
SMILESOC(CN(Cc1cccc(F)c1)CC1CC(c2ccccc2)=NO1)c1ccccc1
InChIInChI=1S/C25H25FN2O2/c26-22-13-7-8-19(14-22)16-28(18-25(29)21-11-5-2-6-12-21)17-23-15-24(27-30-23)20-9-3-1-4-10-20/h1-14,23,25,29H,15-18H2
InChIKeyJLXZQOAMERWRIH-UHFFFAOYSA-N
XLogP4.55
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-
CID 48897
(1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)propan-1-ol
CID 164683922
(1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)pentan-1-ol
CID 164683952
(1S)-2-[benzyl(hydroxy)amino]-2-cyclohexyl-1-(4-fluorophenyl)ethanol
CID 164683958
(1S)-2-[benzyl(hydroxy)amino]-1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 164685791
2-[Benzyl-(2-hydroxy-2-phenylethyl)amino]-1-phenylethanol
CID 420459
(1R,1'R)-2,2'-(benzylazanediyl)bis(1-phenylethan-1-ol)
CID 11078547
(1R,2S)-1-phenyl-2-(N,N-dibenzylamino)-1-propanol
CID 12105160
2-(4-Benzyl-1-piperazinyl)-1-(4-fluorophenyl)ethanol
CID 3074365
2-[(4-Fluorophenyl)methyl-(2-methoxyethyl)amino]-1-phenylethanol
CID 24713602
2-[(4-Fluorophenyl)methyl-(3-methoxypropyl)amino]-1-phenylethanol
CID 24713865
1-[[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol
CID 24714244

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol?
The IUPAC name of 2-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol (CID 42838580) is 2-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol is OC(CN(Cc1cccc(F)c1)CC1CC(c2ccccc2)=NO1)c1ccccc1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol?
The InChIKey is JLXZQOAMERWRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c26-22-13-7-8-19(14-22)16-28(18-25(29)21-11-5-2-6-12-21)17-23-15-24(27-30-23)20-9-3-1-4-10-20/h1-14,23,25,29H,15-18H2.
What are the key properties of 2-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol?
2-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol has a molecular weight of 404.49 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol is sourced from PubChem (CID 42838580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).