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

C15H11N3O3 — CID 12789660

IUPACmethyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1noc(-c2ccccn2)n1
InChIInChI=1S/C15H11N3O3/c1-20-15(19)11-7-3-2-6-10(11)13-17-14(21-18-13)12-8-4-5-9-16-12/h2-9H,1H3
InChIKeyWINFWXHRTNEBHW-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.59
Rot. Bonds3

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

methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate (PubChem CID 12789660) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate
PubChem CID12789660
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Namemethyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate
SMILESCOC(=O)c1ccccc1-c1noc(-c2ccccn2)n1
InChIInChI=1S/C15H11N3O3/c1-20-15(19)11-7-3-2-6-10(11)13-17-14(21-18-13)12-8-4-5-9-16-12/h2-9H,1H3
InChIKeyWINFWXHRTNEBHW-UHFFFAOYSA-N
XLogP2.59
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-3-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30334062
3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330865
ethane;methyl 5-pyridin-2-yl-1,2-oxazole-3-carboxylate
CID 178133998
methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate
CID 767299
methyl 2-[3-(fluoromethyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 172533254
2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330120
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
3-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329065
1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 115078766
N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine
CID 146482202
methyl 4-hydroxy-3,5-dipyridin-2-ylbenzoate
CID 135496844
4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329289

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate?
The IUPAC name of methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate (CID 12789660) is methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate.
What is the SMILES notation for methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate?
The canonical SMILES for methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate is COC(=O)c1ccccc1-c1noc(-c2ccccn2)n1.
What is the InChIKey of methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate?
The InChIKey is WINFWXHRTNEBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-20-15(19)11-7-3-2-6-10(11)13-17-14(21-18-13)12-8-4-5-9-16-12/h2-9H,1H3.
What are the key properties of methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate?
methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate has a molecular weight of 281.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)benzoate is sourced from PubChem (CID 12789660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).