5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid

C13H14N2O4 — CID 82090735

IUPAC5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid
SMILESCN(C)c1cccc(OCc2ocnc2C(=O)O)c1
InChIInChI=1S/C13H14N2O4/c1-15(2)9-4-3-5-10(6-9)18-7-11-12(13(16)17)14-8-19-11/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyMLTRLEUADXNOTG-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.02
Rot. Bonds5

About 5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid

5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 82090735) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID82090735
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid
SMILESCN(C)c1cccc(OCc2ocnc2C(=O)O)c1
InChIInChI=1S/C13H14N2O4/c1-15(2)9-4-3-5-10(6-9)18-7-11-12(13(16)17)14-8-19-11/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyMLTRLEUADXNOTG-UHFFFAOYSA-N
XLogP2.02
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 82088303
5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 82087072
4-[2-[3-(dimethylamino)phenoxy]ethoxy]benzoic acid
CID 20985248
3-[[3-(dimethylamino)phenoxy]methyl]-4-fluorobenzoic acid
CID 63075215
3-[5-[[3-(dimethylamino)phenoxy]methyl]thiophen-2-yl]prop-2-enoic acid
CID 76918378
2-[3-(dimethylamino)phenoxy]-1-phenylethanone
CID 60773053
(E)-4-[3-(dimethylamino)phenoxy]but-2-enoic acid
CID 62343701
2-[3-(dimethylamino)phenoxy]propanoic acid
CID 22683634
3-[2-[3-(dimethylamino)phenoxy]ethyl-methylamino]propanoic acid
CID 82224178
5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62919017
3-amino-4-[3-(dimethylamino)phenoxy]butanoic acid
CID 112511325
5-[[3-(dimethylamino)phenoxy]methyl]oxolane-2-carboxylic acid
CID 62300799

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid (CID 82090735) is 5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid is CN(C)c1cccc(OCc2ocnc2C(=O)O)c1.
What is the InChIKey of 5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is MLTRLEUADXNOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-15(2)9-4-3-5-10(6-9)18-7-11-12(13(16)17)14-8-19-11/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid?
5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 82090735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).