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

C25H24ClFN2O2 — CID 42838612

IUPAC2-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-1-phenylethanol
SMILESOC(CN(Cc1cccc(F)c1)CC1CC(c2ccccc2Cl)=NO1)c1ccccc1
InChIInChI=1S/C25H24ClFN2O2/c26-23-12-5-4-11-22(23)24-14-21(31-28-24)16-29(15-18-7-6-10-20(27)13-18)17-25(30)19-8-2-1-3-9-19/h1-13,21,25,30H,14-17H2
InChIKeyPXHSZWDFBFLBJV-UHFFFAOYSA-N
MW438.93 g/mol
LogP5.21
Rot. Bonds8

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

2-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-1-phenylethanol (PubChem CID 42838612) has the molecular formula C25H24ClFN2O2 and a molecular weight of 438.93 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-1-phenylethanol
PubChem CID42838612
Molecular FormulaC25H24ClFN2O2
Molecular Weight438.93 g/mol
Exact Mass438.15
IUPAC Name2-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-1-phenylethanol
SMILESOC(CN(Cc1cccc(F)c1)CC1CC(c2ccccc2Cl)=NO1)c1ccccc1
InChIInChI=1S/C25H24ClFN2O2/c26-23-12-5-4-11-22(23)24-14-21(31-28-24)16-29(15-18-7-6-10-20(27)13-18)17-25(30)19-8-2-1-3-9-19/h1-13,21,25,30H,14-17H2
InChIKeyPXHSZWDFBFLBJV-UHFFFAOYSA-N
XLogP5.21
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.93
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-1-phenylethanol with MolForge

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Related Compounds

2-[(3-Fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol
CID 42838580
1-[(3-Chlorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]butan-2-ol
CID 46014195
1-[Benzyl({[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-YL]methyl})amino]pentan-2-OL
CID 46014226
2-[(3-Chlorophenyl)methyl-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-1-phenylethanol
CID 46014266
1-(Benzyl{[3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}amino)-3-phenyl-2-propanol
CID 46014289
2-[(3-Chlorophenyl)methyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-1-phenylethanol
CID 46014291
[3-(Benzyloxy)-2-hydroxypropyl][(3-chlorophenyl)methyl]{[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-YL]methyl}amine
CID 46014292
2-[[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(4-fluorophenyl)methyl]amino]-1-phenylethanol
CID 46014306
1-[[3-(2-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46014324
1-[[3-(3,4-Dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46014343
1-[[3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-3-phenylpropan-2-ol
CID 46014348
1-[(2-Chlorophenyl)methyl-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol
CID 46014353

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-1-phenylethanol?
The IUPAC name of 2-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-1-phenylethanol (CID 42838612) is 2-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-1-phenylethanol?
The canonical SMILES for 2-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-1-phenylethanol is OC(CN(Cc1cccc(F)c1)CC1CC(c2ccccc2Cl)=NO1)c1ccccc1.
What is the InChIKey of 2-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-1-phenylethanol?
The InChIKey is PXHSZWDFBFLBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN2O2/c26-23-12-5-4-11-22(23)24-14-21(31-28-24)16-29(15-18-7-6-10-20(27)13-18)17-25(30)19-8-2-1-3-9-19/h1-13,21,25,30H,14-17H2.
What are the key properties of 2-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-1-phenylethanol?
2-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-1-phenylethanol has a molecular weight of 438.93 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(3-fluorophenyl)methyl]amino]-1-phenylethanol is sourced from PubChem (CID 42838612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).