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

C17H15N3O3 — CID 75432525

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-pyridin-2-ylbenzoate
SMILESCc1noc(COC(=O)c2cccc(-c3ccccn3)c2C)n1
InChIInChI=1S/C17H15N3O3/c1-11-13(15-8-3-4-9-18-15)6-5-7-14(11)17(21)22-10-16-19-12(2)20-23-16/h3-9H,10H2,1-2H3
InChIKeyCRGCDYAHVYMUCC-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.11
Rot. Bonds4

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

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-pyridin-2-ylbenzoate (PubChem CID 75432525) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-pyridin-2-ylbenzoate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-pyridin-2-ylbenzoate
PubChem CID75432525
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-pyridin-2-ylbenzoate
SMILESCc1noc(COC(=O)c2cccc(-c3ccccn3)c2C)n1
InChIInChI=1S/C17H15N3O3/c1-11-13(15-8-3-4-9-18-15)6-5-7-14(11)17(21)22-10-16-19-12(2)20-23-16/h3-9H,10H2,1-2H3
InChIKeyCRGCDYAHVYMUCC-UHFFFAOYSA-N
XLogP3.11
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methyl-3-nitrobenzoate
CID 8709834
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-hydroxy-4-methylbenzoate
CID 31047257
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 6-bromo-2-phenylquinoline-4-carboxylate
CID 31453146
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-propoxybenzoate
CID 60518657
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,2-dihydroacenaphthylene-5-carboxylate
CID 18147584
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate
CID 8607847
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(benzenesulfonylmethyl)benzoate
CID 60518876
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 9,10-dioxoanthracene-1-carboxylate
CID 16595659
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethylsulfinylbenzoate
CID 55561765
[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 2-ethoxybenzoate
CID 35481608
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-ethylsulfinylbenzoate
CID 55444884
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-nitrobenzoate
CID 18134974

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-pyridin-2-ylbenzoate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-pyridin-2-ylbenzoate (CID 75432525) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-pyridin-2-ylbenzoate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-pyridin-2-ylbenzoate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-pyridin-2-ylbenzoate is Cc1noc(COC(=O)c2cccc(-c3ccccn3)c2C)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-pyridin-2-ylbenzoate?
The InChIKey is CRGCDYAHVYMUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-13(15-8-3-4-9-18-15)6-5-7-14(11)17(21)22-10-16-19-12(2)20-23-16/h3-9H,10H2,1-2H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-pyridin-2-ylbenzoate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-pyridin-2-ylbenzoate has a molecular weight of 309.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-methyl-3-pyridin-2-ylbenzoate is sourced from PubChem (CID 75432525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).