methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate

C12H12N2O4 — CID 52618291

IUPACmethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2noc(C)n2)c1
InChIInChI=1S/C12H12N2O4/c1-8-13-11(14-18-8)7-17-10-5-3-4-9(6-10)12(15)16-2/h3-6H,7H2,1-2H3
InChIKeyDWLIYPXSZBQWCP-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.74
Rot. Bonds4

About methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate

methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate (PubChem CID 52618291) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
PubChem CID52618291
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Namemethyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2noc(C)n2)c1
InChIInChI=1S/C12H12N2O4/c1-8-13-11(14-18-8)7-17-10-5-3-4-9(6-10)12(15)16-2/h3-6H,7H2,1-2H3
InChIKeyDWLIYPXSZBQWCP-UHFFFAOYSA-N
XLogP1.74
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate with MolForge

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Related Compounds

[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 97246035
4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]thiane-4-carboxylic acid
CID 120531064
methyl 3-[[5-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 138009454
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[1-(2-methylpropyl)cyclopropyl]methyl]benzamide
CID 126792448
methyl 3-[[5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 120842271
N-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 60881291
methyl 3-[[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate;hydrochloride
CID 120842254
1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 120513103
4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 138989744
methyl 3-ethoxybenzoate
CID 3267781
methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate
CID 106400515
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
The IUPAC name of methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate (CID 52618291) is methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate.
What is the SMILES notation for methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
The canonical SMILES for methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate is COC(=O)c1cccc(OCc2noc(C)n2)c1.
What is the InChIKey of methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
The InChIKey is DWLIYPXSZBQWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-8-13-11(14-18-8)7-17-10-5-3-4-9(6-10)12(15)16-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate?
methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate has a molecular weight of 248.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate is sourced from PubChem (CID 52618291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).