[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate

C20H18FNO4 — CID 60541333

IUPAC[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate
SMILESO=C(CCOCc1ccccc1)OCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H18FNO4/c21-17-8-6-16(7-9-17)18-12-22-19(26-18)14-25-20(23)10-11-24-13-15-4-2-1-3-5-15/h1-9,12H,10-11,13-14H2
InChIKeyYJIWOKVHBQKARO-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.13
Rot. Bonds8

About [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate

[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate (PubChem CID 60541333) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate
PubChem CID60541333
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate
SMILESO=C(CCOCc1ccccc1)OCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H18FNO4/c21-17-8-6-16(7-9-17)18-12-22-19(26-18)14-25-20(23)10-11-24-13-15-4-2-1-3-5-15/h1-9,12H,10-11,13-14H2
InChIKeyYJIWOKVHBQKARO-UHFFFAOYSA-N
XLogP4.13
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 7967630
phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490600
(5-phenyl-1,3-oxazol-2-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8663862
(2-chloro-4-fluorophenyl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490902
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(phenylsulfamoyl)benzoate
CID 16595735
benzyl 2-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
CID 30699767
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 36828821
2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide
CID 48731838
benzyl 2-amino-3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 72648141
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 2-amino-5-bromobenzoate
CID 16592037
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-phenylphosphane
CID 71175511
[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490358

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate?
The IUPAC name of [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate (CID 60541333) is [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate.
What is the SMILES notation for [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate?
The canonical SMILES for [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate is O=C(CCOCc1ccccc1)OCc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate?
The InChIKey is YJIWOKVHBQKARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c21-17-8-6-16(7-9-17)18-12-22-19(26-18)14-25-20(23)10-11-24-13-15-4-2-1-3-5-15/h1-9,12H,10-11,13-14H2.
What are the key properties of [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate?
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate has a molecular weight of 355.37 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 3-phenylmethoxypropanoate is sourced from PubChem (CID 60541333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).