5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid

C7H9NO4 — CID 123347275

IUPAC5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid
SMILESCC(O)Cc1cc(C(=O)O)no1
InChIInChI=1S/C7H9NO4/c1-4(9)2-5-3-6(7(10)11)8-12-5/h3-4,9H,2H2,1H3,(H,10,11)
InChIKeyYKUSXLIFOFSTFL-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.30
Rot. Bonds3

About 5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid

5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 123347275) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid
PubChem CID123347275
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid
SMILESCC(O)Cc1cc(C(=O)O)no1
InChIInChI=1S/C7H9NO4/c1-4(9)2-5-3-6(7(10)11)8-12-5/h3-4,9H,2H2,1H3,(H,10,11)
InChIKeyYKUSXLIFOFSTFL-UHFFFAOYSA-N
XLogP0.30
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid
CID 175566101
5-[[(2-hydroxy-3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103264279
5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 131122642
5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103246275
5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 55117077
5-(1-phenylethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397458
5-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]-1,2-oxazole-3-carboxylic acid
CID 134390263
5-(3-aminobutylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
CID 66233012
5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397567
5-[[ethyl(2-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 79478057
5-(3-bromopropyl)-1,2-oxazole-3-carboxylic acid
CID 90326182
5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397268

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid (CID 123347275) is 5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid is CC(O)Cc1cc(C(=O)O)no1.
What is the InChIKey of 5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is YKUSXLIFOFSTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-4(9)2-5-3-6(7(10)11)8-12-5/h3-4,9H,2H2,1H3,(H,10,11).
What are the key properties of 5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid?
5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 171.15 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 123347275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).