ethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate

C19H19NO4 — CID 18971687

IUPACethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate
SMILESCCOC(=O)COc1cccc(C2=NC(c3ccccc3)CO2)c1
InChIInChI=1S/C19H19NO4/c1-2-22-18(21)13-23-16-10-6-9-15(11-16)19-20-17(12-24-19)14-7-4-3-5-8-14/h3-11,17H,2,12-13H2,1H3
InChIKeyRNIMPQALGZUWAE-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.15
Rot. Bonds6

About ethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate

ethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate (PubChem CID 18971687) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is ethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate
PubChem CID18971687
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nameethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate
SMILESCCOC(=O)COc1cccc(C2=NC(c3ccccc3)CO2)c1
InChIInChI=1S/C19H19NO4/c1-2-22-18(21)13-23-16-10-6-9-15(11-16)19-20-17(12-24-19)14-7-4-3-5-8-14/h3-11,17H,2,12-13H2,1H3
InChIKeyRNIMPQALGZUWAE-UHFFFAOYSA-N
XLogP3.15
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 123534132
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ethyl 2-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]acetate
CID 63094984
[4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]phenyl] propanoate
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ethyl 2-[3-(methylaminomethyl)phenoxy]acetate
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4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline
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ethyl 2-[3-[2-(3-formyl-4,5-diphenylfuran-2-yl)phenyl]phenoxy]acetate
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CID 86689297
ethyl 2-[3-[2-[3-(hydroxymethyl)-4,5-diphenylfuran-2-yl]phenyl]phenoxy]acetate;methane
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[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]methyl benzoate
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CID 59846798

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate?
The IUPAC name of ethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate (CID 18971687) is ethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate is CCOC(=O)COc1cccc(C2=NC(c3ccccc3)CO2)c1.
What is the InChIKey of ethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate?
The InChIKey is RNIMPQALGZUWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-22-18(21)13-23-16-10-6-9-15(11-16)19-20-17(12-24-19)14-7-4-3-5-8-14/h3-11,17H,2,12-13H2,1H3.
What are the key properties of ethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate?
ethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate has a molecular weight of 325.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]acetate is sourced from PubChem (CID 18971687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).