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

C17H18FNO3 — CID 16869658

IUPAC[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-cyclopentylacetate
SMILESO=C(CC1CCCC1)OCc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C17H18FNO3/c18-14-7-5-13(6-8-14)16-10-15(19-22-16)11-21-17(20)9-12-3-1-2-4-12/h5-8,10,12H,1-4,9,11H2
InChIKeyYBRKLVDVKHSBIY-UHFFFAOYSA-N
MW303.33 g/mol
LogP4.10
Rot. Bonds5

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

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-cyclopentylacetate (PubChem CID 16869658) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-cyclopentylacetate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-cyclopentylacetate
PubChem CID16869658
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-cyclopentylacetate
SMILESO=C(CC1CCCC1)OCc1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C17H18FNO3/c18-14-7-5-13(6-8-14)16-10-15(19-22-16)11-21-17(20)9-12-3-1-2-4-12/h5-8,10,12H,1-4,9,11H2
InChIKeyYBRKLVDVKHSBIY-UHFFFAOYSA-N
XLogP4.10
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-cyclopentylacetate?
The IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-cyclopentylacetate (CID 16869658) is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-cyclopentylacetate.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-cyclopentylacetate?
The canonical SMILES for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-cyclopentylacetate is O=C(CC1CCCC1)OCc1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-cyclopentylacetate?
The InChIKey is YBRKLVDVKHSBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3/c18-14-7-5-13(6-8-14)16-10-15(19-22-16)11-21-17(20)9-12-3-1-2-4-12/h5-8,10,12H,1-4,9,11H2.
What are the key properties of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-cyclopentylacetate?
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-cyclopentylacetate has a molecular weight of 303.33 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-cyclopentylacetate is sourced from PubChem (CID 16869658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).