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

C10H9N3O3 — CID 79474815

IUPACmethyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
SMILESCOC(=O)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C10H9N3O3/c1-15-9(14)6-8-12-10(13-16-8)7-4-2-3-5-11-7/h2-5H,6H2,1H3
InChIKeyRKLBKYLCYJJWBX-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.85
Rot. Bonds3

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

methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate (PubChem CID 79474815) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
PubChem CID79474815
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Namemethyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
SMILESCOC(=O)Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C10H9N3O3/c1-15-9(14)6-8-12-10(13-16-8)7-4-2-3-5-11-7/h2-5H,6H2,1H3
InChIKeyRKLBKYLCYJJWBX-UHFFFAOYSA-N
XLogP0.85
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate?
The IUPAC name of methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate (CID 79474815) is methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate?
The canonical SMILES for methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate is COC(=O)Cc1nc(-c2ccccn2)no1.
What is the InChIKey of methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate?
The InChIKey is RKLBKYLCYJJWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-15-9(14)6-8-12-10(13-16-8)7-4-2-3-5-11-7/h2-5H,6H2,1H3.
What are the key properties of methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate?
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate has a molecular weight of 219.20 g/mol, XLogP of 0.85, 3 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-yl-1,2,4-oxadiazol-5-yl)acetate is sourced from PubChem (CID 79474815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).