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

C12H13N3O4 — CID 82730434

IUPAC2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESCCc1cccnc1-c1noc(COCC(=O)O)n1
InChIInChI=1S/C12H13N3O4/c1-2-8-4-3-5-13-11(8)12-14-9(19-15-12)6-18-7-10(16)17/h3-5H,2,6-7H2,1H3,(H,16,17)
InChIKeyQVRFJVPWAPBYDS-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.30
Rot. Bonds6

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

2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (PubChem CID 82730434) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
PubChem CID82730434
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESCCc1cccnc1-c1noc(COCC(=O)O)n1
InChIInChI=1S/C12H13N3O4/c1-2-8-4-3-5-13-11(8)12-14-9(19-15-12)6-18-7-10(16)17/h3-5H,2,6-7H2,1H3,(H,16,17)
InChIKeyQVRFJVPWAPBYDS-UHFFFAOYSA-N
XLogP1.30
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid with MolForge

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Related Compounds

2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 61313488
2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 82736496
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 82741272
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 82740955
5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82741728
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106526504
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 82740956
2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 65196514
(1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104881133
6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 82736599
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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The IUPAC name of 2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (CID 82730434) is 2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is CCc1cccnc1-c1noc(COCC(=O)O)n1.
What is the InChIKey of 2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The InChIKey is QVRFJVPWAPBYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-2-8-4-3-5-13-11(8)12-14-9(19-15-12)6-18-7-10(16)17/h3-5H,2,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid has a molecular weight of 263.25 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is sourced from PubChem (CID 82730434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).