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

C22H27FN2O3 — CID 46014184

IUPAC1-ethoxy-3-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]propan-2-ol
SMILESCCOCC(O)CN(Cc1ccc(F)cc1)CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C22H27FN2O3/c1-2-27-16-20(26)14-25(13-17-8-10-19(23)11-9-17)15-21-12-22(24-28-21)18-6-4-3-5-7-18/h3-11,20-21,26H,2,12-16H2,1H3
InChIKeyMOWJCXHJKHMGKH-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.22
Rot. Bonds10

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

1-ethoxy-3-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]propan-2-ol (PubChem CID 46014184) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-ethoxy-3-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]propan-2-ol
PubChem CID46014184
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name1-ethoxy-3-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]propan-2-ol
SMILESCCOCC(O)CN(Cc1ccc(F)cc1)CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C22H27FN2O3/c1-2-27-16-20(26)14-25(13-17-8-10-19(23)11-9-17)15-21-12-22(24-28-21)18-6-4-3-5-7-18/h3-11,20-21,26H,2,12-16H2,1H3
InChIKeyMOWJCXHJKHMGKH-UHFFFAOYSA-N
XLogP3.22
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]propan-2-ol (CID 46014184) is 1-ethoxy-3-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]propan-2-ol is CCOCC(O)CN(Cc1ccc(F)cc1)CC1CC(c2ccccc2)=NO1.
What is the InChIKey of 1-ethoxy-3-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]propan-2-ol?
The InChIKey is MOWJCXHJKHMGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-2-27-16-20(26)14-25(13-17-8-10-19(23)11-9-17)15-21-12-22(24-28-21)18-6-4-3-5-7-18/h3-11,20-21,26H,2,12-16H2,1H3.
What are the key properties of 1-ethoxy-3-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]propan-2-ol?
1-ethoxy-3-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]propan-2-ol has a molecular weight of 386.47 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[(4-fluorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 46014184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).