2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid

C13H13NO4 — CID 82295661

IUPAC2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid
SMILESCCOc1ccc(-c2cc(CC(=O)O)on2)cc1
InChIInChI=1S/C13H13NO4/c1-2-17-10-5-3-9(4-6-10)12-7-11(18-14-12)8-13(15)16/h3-7H,2,8H2,1H3,(H,15,16)
InChIKeyUFZMLLJOHONVLD-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.37
Rot. Bonds5

About 2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid

2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid (PubChem CID 82295661) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid
PubChem CID82295661
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid
SMILESCCOc1ccc(-c2cc(CC(=O)O)on2)cc1
InChIInChI=1S/C13H13NO4/c1-2-17-10-5-3-9(4-6-10)12-7-11(18-14-12)8-13(15)16/h3-7H,2,8H2,1H3,(H,15,16)
InChIKeyUFZMLLJOHONVLD-UHFFFAOYSA-N
XLogP2.37
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]methanol
CID 5200457
2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82294611
[3-(4-butoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892869
[3-(4-propoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892868
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382902
N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-4-ethoxybenzamide
CID 17014685
2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
CID 11502852
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
CID 118321395
ethyl 3-oxo-4-(3-phenyl-1,2-oxazol-5-yl)butanoate
CID 58032908

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid (CID 82295661) is 2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid is CCOc1ccc(-c2cc(CC(=O)O)on2)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid?
The InChIKey is UFZMLLJOHONVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-2-17-10-5-3-9(4-6-10)12-7-11(18-14-12)8-13(15)16/h3-7H,2,8H2,1H3,(H,15,16).
What are the key properties of 2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid?
2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 82295661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).