methyl (2R)-2-ethoxy-3-[3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoate

C21H22FNO4 — CID 142723643

IUPACmethyl (2R)-2-ethoxy-3-[3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoate
SMILESCCO[C@H](Cc1cccc(C2=NOC(c3ccc(F)cc3)C2)c1)C(=O)OC
InChIInChI=1S/C21H22FNO4/c1-3-26-20(21(24)25-2)12-14-5-4-6-16(11-14)18-13-19(27-23-18)15-7-9-17(22)10-8-15/h4-11,19-20H,3,12-13H2,1-2H3/t19?,20-/m1/s1
InChIKeySWZNLYTVAZVDAZ-GFOWMXPYSA-N
MW371.41 g/mol
LogP3.81
Rot. Bonds7

About methyl (2R)-2-ethoxy-3-[3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoate

methyl (2R)-2-ethoxy-3-[3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoate (PubChem CID 142723643) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is methyl (2R)-2-ethoxy-3-[3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-ethoxy-3-[3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoate
PubChem CID142723643
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC Namemethyl (2R)-2-ethoxy-3-[3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoate
SMILESCCO[C@H](Cc1cccc(C2=NOC(c3ccc(F)cc3)C2)c1)C(=O)OC
InChIInChI=1S/C21H22FNO4/c1-3-26-20(21(24)25-2)12-14-5-4-6-16(11-14)18-13-19(27-23-18)15-7-9-17(22)10-8-15/h4-11,19-20H,3,12-13H2,1-2H3/t19?,20-/m1/s1
InChIKeySWZNLYTVAZVDAZ-GFOWMXPYSA-N
XLogP3.81
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-ethoxy-3-[3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoate?
The IUPAC name of methyl (2R)-2-ethoxy-3-[3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoate (CID 142723643) is methyl (2R)-2-ethoxy-3-[3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoate.
What is the SMILES notation for methyl (2R)-2-ethoxy-3-[3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoate?
The canonical SMILES for methyl (2R)-2-ethoxy-3-[3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoate is CCO[C@H](Cc1cccc(C2=NOC(c3ccc(F)cc3)C2)c1)C(=O)OC.
What is the InChIKey of methyl (2R)-2-ethoxy-3-[3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoate?
The InChIKey is SWZNLYTVAZVDAZ-GFOWMXPYSA-N. The full InChI is InChI=1S/C21H22FNO4/c1-3-26-20(21(24)25-2)12-14-5-4-6-16(11-14)18-13-19(27-23-18)15-7-9-17(22)10-8-15/h4-11,19-20H,3,12-13H2,1-2H3/t19?,20-/m1/s1.
What are the key properties of methyl (2R)-2-ethoxy-3-[3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoate?
methyl (2R)-2-ethoxy-3-[3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoate has a molecular weight of 371.41 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-ethoxy-3-[3-[5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoate is sourced from PubChem (CID 142723643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).