tert-butyl 2-[3-(3-fluoro-4-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetate

C15H18FNO4 — CID 90737226

IUPACtert-butyl 2-[3-(3-fluoro-4-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetate
SMILESCC(C)(C)OC(=O)CC1C=C(c2ccc(O)c(F)c2)NO1
InChIInChI=1S/C15H18FNO4/c1-15(2,3)20-14(19)8-10-7-12(17-21-10)9-4-5-13(18)11(16)6-9/h4-7,10,17-18H,8H2,1-3H3
InChIKeyASFNJYOZRCIDIS-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.51
Rot. Bonds3

About tert-butyl 2-[3-(3-fluoro-4-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetate

tert-butyl 2-[3-(3-fluoro-4-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetate (PubChem CID 90737226) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is tert-butyl 2-[3-(3-fluoro-4-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-(3-fluoro-4-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetate
PubChem CID90737226
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Nametert-butyl 2-[3-(3-fluoro-4-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetate
SMILESCC(C)(C)OC(=O)CC1C=C(c2ccc(O)c(F)c2)NO1
InChIInChI=1S/C15H18FNO4/c1-15(2,3)20-14(19)8-10-7-12(17-21-10)9-4-5-13(18)11(16)6-9/h4-7,10,17-18H,8H2,1-3H3
InChIKeyASFNJYOZRCIDIS-UHFFFAOYSA-N
XLogP2.51
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(3-fluoro-4-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetate?
The IUPAC name of tert-butyl 2-[3-(3-fluoro-4-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetate (CID 90737226) is tert-butyl 2-[3-(3-fluoro-4-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetate.
What is the SMILES notation for tert-butyl 2-[3-(3-fluoro-4-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetate?
The canonical SMILES for tert-butyl 2-[3-(3-fluoro-4-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetate is CC(C)(C)OC(=O)CC1C=C(c2ccc(O)c(F)c2)NO1.
What is the InChIKey of tert-butyl 2-[3-(3-fluoro-4-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetate?
The InChIKey is ASFNJYOZRCIDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-15(2,3)20-14(19)8-10-7-12(17-21-10)9-4-5-13(18)11(16)6-9/h4-7,10,17-18H,8H2,1-3H3.
What are the key properties of tert-butyl 2-[3-(3-fluoro-4-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetate?
tert-butyl 2-[3-(3-fluoro-4-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetate has a molecular weight of 295.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(3-fluoro-4-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-5-yl]acetate is sourced from PubChem (CID 90737226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).