2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid

C9H8N4O4 — CID 61313488

IUPAC2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
SMILESO=C(O)COCc1nc(-c2ncccn2)no1
InChIInChI=1S/C9H8N4O4/c14-7(15)5-16-4-6-12-9(13-17-6)8-10-2-1-3-11-8/h1-3H,4-5H2,(H,14,15)
InChIKeyRASTUQNJTCAKBN-UHFFFAOYSA-N
MW236.19 g/mol
LogP0.13
Rot. Bonds5

About 2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid

2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid (PubChem CID 61313488) has the molecular formula C9H8N4O4 and a molecular weight of 236.19 g/mol. Its IUPAC name is 2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
PubChem CID61313488
Molecular FormulaC9H8N4O4
Molecular Weight236.19 g/mol
Exact Mass236.05
IUPAC Name2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
SMILESO=C(O)COCc1nc(-c2ncccn2)no1
InChIInChI=1S/C9H8N4O4/c14-7(15)5-16-4-6-12-9(13-17-6)8-10-2-1-3-11-8/h1-3H,4-5H2,(H,14,15)
InChIKeyRASTUQNJTCAKBN-UHFFFAOYSA-N
XLogP0.13
TPSA111.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 82730434
2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 65196514
2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 79720214
2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 61313489
2-[(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 81147965
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 61312303
(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875727
2-[[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 64981985
2-[ethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119205870
2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119189019
2-[cyclopropyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119194704
2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 116704876

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
The IUPAC name of 2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid (CID 61313488) is 2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid is O=C(O)COCc1nc(-c2ncccn2)no1.
What is the InChIKey of 2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
The InChIKey is RASTUQNJTCAKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O4/c14-7(15)5-16-4-6-12-9(13-17-6)8-10-2-1-3-11-8/h1-3H,4-5H2,(H,14,15).
What are the key properties of 2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid?
2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid has a molecular weight of 236.19 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid is sourced from PubChem (CID 61313488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).