methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate

C11H11N3O3 — CID 79474343

IUPACmethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCOC(=O)Cc1nc(Cc2ccccn2)no1
InChIInChI=1S/C11H11N3O3/c1-16-11(15)7-10-13-9(14-17-10)6-8-4-2-3-5-12-8/h2-5H,6-7H2,1H3
InChIKeyNXDDUMXJKAXSCT-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.77
Rot. Bonds4

About methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate

methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate (PubChem CID 79474343) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
PubChem CID79474343
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Namemethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCOC(=O)Cc1nc(Cc2ccccn2)no1
InChIInChI=1S/C11H11N3O3/c1-16-11(15)7-10-13-9(14-17-10)6-8-4-2-3-5-12-8/h2-5H,6-7H2,1H3
InChIKeyNXDDUMXJKAXSCT-UHFFFAOYSA-N
XLogP0.77
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474342
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
1-methoxy-N-methyl-3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347758
3,3-dimethyl-4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 62932852
methyl 2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474499
methyl 2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474900
methyl 2-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 79474355
methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474749
methyl 2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79475323
N-propyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63348226
methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate
CID 79474456
ethyl 2-methyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 79471489

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate?
The IUPAC name of methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate (CID 79474343) is methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate?
The canonical SMILES for methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate is COC(=O)Cc1nc(Cc2ccccn2)no1.
What is the InChIKey of methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate?
The InChIKey is NXDDUMXJKAXSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-16-11(15)7-10-13-9(14-17-10)6-8-4-2-3-5-12-8/h2-5H,6-7H2,1H3.
What are the key properties of methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate?
methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate has a molecular weight of 233.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]acetate is sourced from PubChem (CID 79474343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).