(E)-3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid

C15H15NO5 — CID 43366608

IUPAC(E)-3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid
SMILESCCOc1cccc(/C=C/C(=O)O)c1OCc1ccno1
InChIInChI=1S/C15H15NO5/c1-2-19-13-5-3-4-11(6-7-14(17)18)15(13)20-10-12-8-9-16-21-12/h3-9H,2,10H2,1H3,(H,17,18)/b7-6+
InChIKeyNGJSIEFTSUBBOM-VOTSOKGWSA-N
MW289.29 g/mol
LogP2.75
Rot. Bonds7

About (E)-3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid

(E)-3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid (PubChem CID 43366608) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is (E)-3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid
PubChem CID43366608
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name(E)-3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid
SMILESCCOc1cccc(/C=C/C(=O)O)c1OCc1ccno1
InChIInChI=1S/C15H15NO5/c1-2-19-13-5-3-4-11(6-7-14(17)18)15(13)20-10-12-8-9-16-21-12/h3-9H,2,10H2,1H3,(H,17,18)/b7-6+
InChIKeyNGJSIEFTSUBBOM-VOTSOKGWSA-N
XLogP2.75
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 16769586
3-[3-ethoxy-2-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 57361426
(E)-3-(3-ethoxy-2-prop-2-ynoxyphenyl)prop-2-enoic acid
CID 43366626
3-(3-bromo-2-ethoxyphenyl)prop-2-enoic acid
CID 61392204
3-(2,3-dihexoxyphenyl)prop-2-enoic acid
CID 151218954
3-[2-(ethoxymethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 77066583
(E)-3-(3-methoxy-2-prop-2-enoxyphenyl)prop-2-enoic acid
CID 43471785
(E)-3-[3-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 115956976
2-methyl-3-(1,2-oxazol-5-ylmethoxy)phenol
CID 43143231
3-[2-methoxy-3-(methoxymethoxy)phenyl]prop-2-enoic acid
CID 69144413
(E)-3-[2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 43471782
(E)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]prop-2-enoic acid
CID 115957207

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid (CID 43366608) is (E)-3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid is CCOc1cccc(/C=C/C(=O)O)c1OCc1ccno1.
What is the InChIKey of (E)-3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid?
The InChIKey is NGJSIEFTSUBBOM-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H15NO5/c1-2-19-13-5-3-4-11(6-7-14(17)18)15(13)20-10-12-8-9-16-21-12/h3-9H,2,10H2,1H3,(H,17,18)/b7-6+.
What are the key properties of (E)-3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid?
(E)-3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid has a molecular weight of 289.29 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-ethoxy-2-(1,2-oxazol-5-ylmethoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 43366608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).