5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid

C13H8N2O4 — CID 63850200

IUPAC5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(Oc2nc3ccccc3o2)c1
InChIInChI=1S/C13H8N2O4/c16-12(17)8-5-9(7-14-6-8)18-13-15-10-3-1-2-4-11(10)19-13/h1-7H,(H,16,17)
InChIKeyKNWPMQQOAVSAJO-UHFFFAOYSA-N
MW256.22 g/mol
LogP2.71
Rot. Bonds3

About 5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid

5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid (PubChem CID 63850200) has the molecular formula C13H8N2O4 and a molecular weight of 256.22 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid
PubChem CID63850200
Molecular FormulaC13H8N2O4
Molecular Weight256.22 g/mol
Exact Mass256.05
IUPAC Name5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(Oc2nc3ccccc3o2)c1
InChIInChI=1S/C13H8N2O4/c16-12(17)8-5-9(7-14-6-8)18-13-15-10-3-1-2-4-11(10)19-13/h1-7H,(H,16,17)
InChIKeyKNWPMQQOAVSAJO-UHFFFAOYSA-N
XLogP2.71
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
2-[4-(1,3-benzoxazol-2-yloxy)phenyl]acetic acid
CID 61395477
3-[(5-chloro-1,3-benzoxazol-2-yl)oxy]benzoic acid
CID 54207586
2-(1,3-benzoxazol-2-yloxy)-5-iodobenzoic acid
CID 107732420
2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid
CID 61395834
2-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid
CID 61396354
2-(4-chlorophenoxy)-1,3-benzoxazole-6-carboxylic acid
CID 116690057
[3-(1,3-benzoxazol-2-yloxy)phenyl]methanol
CID 79869656
4-[4-[2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]ethyl]piperazine-1-carbonyl]benzoic acid
CID 90958847
5-(4-sulfamoylphenoxy)pyridine-3-carboxylic acid
CID 63852234
2-(3-ethylphenoxy)-1,3-benzoxazole-6-carboxylic acid
CID 116690133
2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid
CID 61395727

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid (CID 63850200) is 5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid is O=C(O)c1cncc(Oc2nc3ccccc3o2)c1.
What is the InChIKey of 5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid?
The InChIKey is KNWPMQQOAVSAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O4/c16-12(17)8-5-9(7-14-6-8)18-13-15-10-3-1-2-4-11(10)19-13/h1-7H,(H,16,17).
What are the key properties of 5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid?
5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid has a molecular weight of 256.22 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 63850200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).