5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid

C7H8N2O4 — CID 63382908

IUPAC5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(C2CCOC2)n1
InChIInChI=1S/C7H8N2O4/c10-7(11)5-8-6(13-9-5)4-1-2-12-3-4/h4H,1-3H2,(H,10,11)
InChIKeyYPQKMVSHINNJMT-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.27
Rot. Bonds2

About 5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid

5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 63382908) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID63382908
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(C2CCOC2)n1
InChIInChI=1S/C7H8N2O4/c10-7(11)5-8-6(13-9-5)4-1-2-12-3-4/h4H,1-3H2,(H,10,11)
InChIKeyYPQKMVSHINNJMT-UHFFFAOYSA-N
XLogP0.27
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,1-dioxothian-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 115045802
2-(oxolan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 62234864
5-(thiepan-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 165485101
5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid
CID 112631757
[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324587
2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 65330720
1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859662
5-(oxolan-3-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015557
5-(2-methoxycyclopropyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 165484650
4-ethyl-2-(oxolan-3-yl)-1,3-oxazole-5-carboxylic acid
CID 104842551
3-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971742
2-(oxan-3-yl)-1,3-oxazole-4-carboxylic acid
CID 63014929

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid (CID 63382908) is 5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid is O=C(O)c1noc(C2CCOC2)n1.
What is the InChIKey of 5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is YPQKMVSHINNJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c10-7(11)5-8-6(13-9-5)4-1-2-12-3-4/h4H,1-3H2,(H,10,11).
What are the key properties of 5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-yl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 63382908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).