(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid

C11H11N3O4 — CID 104875727

IUPAC(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
SMILESC[C@H](OCc1nc(-c2ccccn2)no1)C(=O)O
InChIInChI=1S/C11H11N3O4/c1-7(11(15)16)17-6-9-13-10(14-18-9)8-4-2-3-5-12-8/h2-5,7H,6H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyUTVXZEBJSHOYSM-ZETCQYMHSA-N
MW249.23 g/mol
LogP1.12
Rot. Bonds5

About (2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid

(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid (PubChem CID 104875727) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is (2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
PubChem CID104875727
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
SMILESC[C@H](OCc1nc(-c2ccccn2)no1)C(=O)O
InChIInChI=1S/C11H11N3O4/c1-7(11(15)16)17-6-9-13-10(14-18-9)8-4-2-3-5-12-8/h2-5,7H,6H2,1H3,(H,15,16)/t7-/m0/s1
InChIKeyUTVXZEBJSHOYSM-ZETCQYMHSA-N
XLogP1.12
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875022
2-methyl-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 64917118
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345489
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
(2R)-4-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119363928
2-methyl-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 81223443
1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346832
5-[(2,6-dichlorophenoxy)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 56901585
4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 61036474
methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
CID 78867875

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid?
The IUPAC name of (2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid (CID 104875727) is (2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid?
The canonical SMILES for (2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid is C[C@H](OCc1nc(-c2ccccn2)no1)C(=O)O.
What is the InChIKey of (2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid?
The InChIKey is UTVXZEBJSHOYSM-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-7(11(15)16)17-6-9-13-10(14-18-9)8-4-2-3-5-12-8/h2-5,7H,6H2,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid?
(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid has a molecular weight of 249.23 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid is sourced from PubChem (CID 104875727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).