5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid

C13H13N3O4 — CID 102689831

IUPAC5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(c2nc(Cc3ccccn3)no2)O1
InChIInChI=1S/C13H13N3O4/c17-13(18)10-5-4-9(19-10)12-15-11(16-20-12)7-8-3-1-2-6-14-8/h1-3,6,9-10H,4-5,7H2,(H,17,18)
InChIKeyFTJDWPNCDIRYSK-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.36
Rot. Bonds4

About 5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid

5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid (PubChem CID 102689831) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
PubChem CID102689831
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(c2nc(Cc3ccccn3)no2)O1
InChIInChI=1S/C13H13N3O4/c17-13(18)10-5-4-9(19-10)12-15-11(16-20-12)7-8-3-1-2-6-14-8/h1-3,6,9-10H,4-5,7H2,(H,17,18)
InChIKeyFTJDWPNCDIRYSK-UHFFFAOYSA-N
XLogP1.36
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-benzyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid
CID 102689825
5-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689848
5-(3-phenyl-1,2,4-oxadiazol-5-yl)oxolane-2-carboxylic acid
CID 102689830
5-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689863
5-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 136843995
3-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxylic acid
CID 96618745
5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid
CID 83213949
N-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63348137
4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950055
3,3-dimethyl-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 62932852
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689851
methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474343

Frequently Asked Questions

What is the IUPAC name of 5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid (CID 102689831) is 5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid is O=C(O)C1CCC(c2nc(Cc3ccccn3)no2)O1.
What is the InChIKey of 5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid?
The InChIKey is FTJDWPNCDIRYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-13(18)10-5-4-9(19-10)12-15-11(16-20-12)7-8-3-1-2-6-14-8/h1-3,6,9-10H,4-5,7H2,(H,17,18).
What are the key properties of 5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid?
5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102689831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).