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

C26H26F2N2O2 — CID 46014348

IUPAC1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol
SMILESOC(Cc1ccccc1)CN(Cc1cccc(F)c1)CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C26H26F2N2O2/c27-22-11-9-21(10-12-22)26-15-25(32-29-26)18-30(16-20-7-4-8-23(28)13-20)17-24(31)14-19-5-2-1-3-6-19/h1-13,24-25,31H,14-18H2
InChIKeyKRYFHKXQPLBYQX-UHFFFAOYSA-N
MW436.50 g/mol
LogP4.56
Rot. Bonds9

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

1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol (PubChem CID 46014348) has the molecular formula C26H26F2N2O2 and a molecular weight of 436.50 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol
PubChem CID46014348
Molecular FormulaC26H26F2N2O2
Molecular Weight436.50 g/mol
Exact Mass436.20
IUPAC Name1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol
SMILESOC(Cc1ccccc1)CN(Cc1cccc(F)c1)CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C26H26F2N2O2/c27-22-11-9-21(10-12-22)26-15-25(32-29-26)18-30(16-20-7-4-8-23(28)13-20)17-24(31)14-19-5-2-1-3-6-19/h1-13,24-25,31H,14-18H2
InChIKeyKRYFHKXQPLBYQX-UHFFFAOYSA-N
XLogP4.56
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-1-(dibenzylamino)-3-fluoro-3-methyl-1-phenylbutan-2-ol
CID 53343017
(1S,2R,3S)-1-(dibenzylamino)-3-fluoro-1-phenylbutan-2-ol
CID 71501124
(2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol
CID 135070050
(2R)-1-(dibenzylamino)-3-phenylpropan-2-ol
CID 57207641
1-[[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol
CID 24714244
1-[[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]hex-5-en-2-ol
CID 24714718
1-[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-fluorophenyl)methyl]methanamine
CID 24715618
2-[(3-Fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol
CID 42838580
1-[[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 42838667
N-[(2,4-difluorophenyl)methyl]-1-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 45950069
1-[(2-Fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol
CID 46007676
1-[(3-Fluorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol
CID 46014160

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol (CID 46014348) is 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol is OC(Cc1ccccc1)CN(Cc1cccc(F)c1)CC1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol?
The InChIKey is KRYFHKXQPLBYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N2O2/c27-22-11-9-21(10-12-22)26-15-25(32-29-26)18-30(16-20-7-4-8-23(28)13-20)17-24(31)14-19-5-2-1-3-6-19/h1-13,24-25,31H,14-18H2.
What are the key properties of 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol?
1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol has a molecular weight of 436.50 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 46014348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).