3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid

C10H6N2O5 — CID 117215056

IUPAC3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid
SMILESO=C(Oc1cccnc1)c1cc(C(=O)O)on1
InChIInChI=1S/C10H6N2O5/c13-9(14)8-4-7(12-17-8)10(15)16-6-2-1-3-11-5-6/h1-5H,(H,13,14)
InChIKeyVPZLGGBYONNUNB-UHFFFAOYSA-N
MW234.17 g/mol
LogP0.99
Rot. Bonds3

About 3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid

3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid (PubChem CID 117215056) has the molecular formula C10H6N2O5 and a molecular weight of 234.17 g/mol. Its IUPAC name is 3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid
PubChem CID117215056
Molecular FormulaC10H6N2O5
Molecular Weight234.17 g/mol
Exact Mass234.03
IUPAC Name3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid
SMILESO=C(Oc1cccnc1)c1cc(C(=O)O)on1
InChIInChI=1S/C10H6N2O5/c13-9(14)8-4-7(12-17-8)10(15)16-6-2-1-3-11-5-6/h1-5H,(H,13,14)
InChIKeyVPZLGGBYONNUNB-UHFFFAOYSA-N
XLogP0.99
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tripyridin-3-yl benzene-1,3,5-tricarboxylate
CID 102031459
3-(2-fluorophenoxy)carbonyl-1,2-oxazole-5-carboxylic acid
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5-(3-hydroxyphenoxy)carbonyl-1,2-oxazole-3-carboxylic acid
CID 117218109
pyridin-3-yl 5-bromofuran-2-carboxylate
CID 5244119
2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid
CID 117213051
5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid
CID 117218877
4-oxo-4-pyridin-3-yloxybut-2-enoic acid
CID 57184664
5-pyridin-3-yloxy-1-benzofuran-2-carboxylic acid
CID 13343422
pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate
CID 117215308
pyridin-3-yl 2-pyridin-3-ylacetate
CID 142079829
3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369823
bis[4-(oxiran-2-ylmethoxy)phenyl] 1,2-oxazole-3,5-dicarboxylate
CID 162782624

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid (CID 117215056) is 3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid is O=C(Oc1cccnc1)c1cc(C(=O)O)on1.
What is the InChIKey of 3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is VPZLGGBYONNUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O5/c13-9(14)8-4-7(12-17-8)10(15)16-6-2-1-3-11-5-6/h1-5H,(H,13,14).
What are the key properties of 3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid?
3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid has a molecular weight of 234.17 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117215056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).