2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid

C13H13NO5 — CID 95469386

IUPAC2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
SMILESCCOc1ccc(OCc2nc(C(=O)O)co2)cc1
InChIInChI=1S/C13H13NO5/c1-2-17-9-3-5-10(6-4-9)18-8-12-14-11(7-19-12)13(15)16/h3-7H,2,8H2,1H3,(H,15,16)
InChIKeyXBJPGPNGRDIBGL-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.35
Rot. Bonds6

About 2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid

2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 95469386) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID95469386
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
SMILESCCOc1ccc(OCc2nc(C(=O)O)co2)cc1
InChIInChI=1S/C13H13NO5/c1-2-17-9-3-5-10(6-4-9)18-8-12-14-11(7-19-12)13(15)16/h3-7H,2,8H2,1H3,(H,15,16)
InChIKeyXBJPGPNGRDIBGL-UHFFFAOYSA-N
XLogP2.35
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 167809217
2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid
CID 82305472
2-[[cyclopropyl-[(4-ethoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 24712750
2-[(4-methoxyphenoxy)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42526219
N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 72881785
N-[(2S)-1-hydroxybutan-2-yl]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56709380
2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 56708039
5-[(4-ethoxyphenoxy)methyl]furan-3-carboxylic acid
CID 62268499
(4-benzylpiperazin-1-yl)-[2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856321
(2-ethylpiperidin-1-yl)-[2-[(4-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 45169442
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
CID 42415544
N-(3-hydroxybutyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56713301

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid (CID 95469386) is 2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid is CCOc1ccc(OCc2nc(C(=O)O)co2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is XBJPGPNGRDIBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-2-17-9-3-5-10(6-4-9)18-8-12-14-11(7-19-12)13(15)16/h3-7H,2,8H2,1H3,(H,15,16).
What are the key properties of 2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid?
2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 95469386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).