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

C26H27FN2O2 — CID 46014289

IUPAC1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol
SMILESOC(Cc1ccccc1)CN(Cc1ccccc1)CC1CC(c2ccccc2F)=NO1
InChIInChI=1S/C26H27FN2O2/c27-25-14-8-7-13-24(25)26-16-23(31-28-26)19-29(17-21-11-5-2-6-12-21)18-22(30)15-20-9-3-1-4-10-20/h1-14,22-23,30H,15-19H2
InChIKeyHJZYRRJFNFLEPM-UHFFFAOYSA-N
MW418.51 g/mol
LogP4.42
Rot. Bonds9

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

1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol (PubChem CID 46014289) has the molecular formula C26H27FN2O2 and a molecular weight of 418.51 g/mol. Its IUPAC name is 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol
PubChem CID46014289
Molecular FormulaC26H27FN2O2
Molecular Weight418.51 g/mol
Exact Mass418.21
IUPAC Name1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol
SMILESOC(Cc1ccccc1)CN(Cc1ccccc1)CC1CC(c2ccccc2F)=NO1
InChIInChI=1S/C26H27FN2O2/c27-25-14-8-7-13-24(25)26-16-23(31-28-26)19-29(17-21-11-5-2-6-12-21)18-22(30)15-20-9-3-1-4-10-20/h1-14,22-23,30H,15-19H2
InChIKeyHJZYRRJFNFLEPM-UHFFFAOYSA-N
XLogP4.42
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol?
The IUPAC name of 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol (CID 46014289) is 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol.
What is the SMILES notation for 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol?
The canonical SMILES for 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol is OC(Cc1ccccc1)CN(Cc1ccccc1)CC1CC(c2ccccc2F)=NO1.
What is the InChIKey of 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol?
The InChIKey is HJZYRRJFNFLEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O2/c27-25-14-8-7-13-24(25)26-16-23(31-28-26)19-29(17-21-11-5-2-6-12-21)18-22(30)15-20-9-3-1-4-10-20/h1-14,22-23,30H,15-19H2.
What are the key properties of 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol?
1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol has a molecular weight of 418.51 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol is sourced from PubChem (CID 46014289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).