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

C20H23FN2O2 — CID 24714244

IUPAC1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol
SMILESCN(CC(O)Cc1ccccc1)CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C20H23FN2O2/c1-23(13-18(24)11-15-5-3-2-4-6-15)14-19-12-20(22-25-19)16-7-9-17(21)10-8-16/h2-10,18-19,24H,11-14H2,1H3
InChIKeyQDLPSFQPYWQJFN-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.85
Rot. Bonds7

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

1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol (PubChem CID 24714244) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol
PubChem CID24714244
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol
SMILESCN(CC(O)Cc1ccccc1)CC1CC(c2ccc(F)cc2)=NO1
InChIInChI=1S/C20H23FN2O2/c1-23(13-18(24)11-15-5-3-2-4-6-15)14-19-12-20(22-25-19)16-7-9-17(21)10-8-16/h2-10,18-19,24H,11-14H2,1H3
InChIKeyQDLPSFQPYWQJFN-UHFFFAOYSA-N
XLogP2.85
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol (CID 24714244) is 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol is CN(CC(O)Cc1ccccc1)CC1CC(c2ccc(F)cc2)=NO1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol?
The InChIKey is QDLPSFQPYWQJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-23(13-18(24)11-15-5-3-2-4-6-15)14-19-12-20(22-25-19)16-7-9-17(21)10-8-16/h2-10,18-19,24H,11-14H2,1H3.
What are the key properties of 1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol?
1-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-3-phenylpropan-2-ol has a molecular weight of 342.41 g/mol, XLogP of 2.85, 7 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-methylamino]-3-phenylpropan-2-ol is sourced from PubChem (CID 24714244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).