ethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate

C14H15NO4 — CID 59132728

IUPACethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate
SMILESCCOC(=O)CC(c1ccc(O)cc1)c1ccno1
InChIInChI=1S/C14H15NO4/c1-2-18-14(17)9-12(13-7-8-15-19-13)10-3-5-11(16)6-4-10/h3-8,12,16H,2,9H2,1H3
InChIKeyHZWRGJHCZQZUNV-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.47
Rot. Bonds5

About ethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate

ethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate (PubChem CID 59132728) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate
PubChem CID59132728
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Nameethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate
SMILESCCOC(=O)CC(c1ccc(O)cc1)c1ccno1
InChIInChI=1S/C14H15NO4/c1-2-18-14(17)9-12(13-7-8-15-19-13)10-3-5-11(16)6-4-10/h3-8,12,16H,2,9H2,1H3
InChIKeyHZWRGJHCZQZUNV-UHFFFAOYSA-N
XLogP2.47
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
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ethyl 3-(4-hydroxyphenyl)-3-(1-methylpyrazol-3-yl)propanoate
CID 59132644
ethyl 4,4-bis(4-hydroxyphenyl)-3-methylbutanoate
CID 70442287
ethyl 3,4-dihydroxy-4-(4-hydroxyphenyl)butanoate
CID 171896820
ethyl (3S)-3-(4-hydroxyphenyl)-3-methoxypropanoate
CID 129379354
ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
CID 105451309
3-ethoxy-2-(4-hydroxyphenyl)-3-oxopropanoic acid
CID 140981315
ethyl (3S)-3-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 86587223
ethyl 4-chloro-4-(4-hydroxyphenyl)butanoate
CID 103440139
4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;ethyl acetate
CID 139176333
ethyl 2-bromo-2-(4-hydroxyphenyl)acetate
CID 88979124

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate?
The IUPAC name of ethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate (CID 59132728) is ethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate?
The canonical SMILES for ethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate is CCOC(=O)CC(c1ccc(O)cc1)c1ccno1.
What is the InChIKey of ethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate?
The InChIKey is HZWRGJHCZQZUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-18-14(17)9-12(13-7-8-15-19-13)10-3-5-11(16)6-4-10/h3-8,12,16H,2,9H2,1H3.
What are the key properties of ethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate?
ethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate has a molecular weight of 261.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxyphenyl)-3-(1,2-oxazol-5-yl)propanoate is sourced from PubChem (CID 59132728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).