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

C14H14N2O4 — CID 129370564

IUPACmethyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate
SMILESCOC(=O)c1ccc(-c2noc([C@H]3CCCO3)n2)cc1
InChIInChI=1S/C14H14N2O4/c1-18-14(17)10-6-4-9(5-7-10)12-15-13(20-16-12)11-3-2-8-19-11/h4-7,11H,2-3,8H2,1H3/t11-/m1/s1
InChIKeyIGTWVICSPYQLIT-LLVKDONJSA-N
MW274.28 g/mol
LogP2.37
Rot. Bonds3

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

methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate (PubChem CID 129370564) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate
PubChem CID129370564
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Namemethyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate
SMILESCOC(=O)c1ccc(-c2noc([C@H]3CCCO3)n2)cc1
InChIInChI=1S/C14H14N2O4/c1-18-14(17)10-6-4-9(5-7-10)12-15-13(20-16-12)11-3-2-8-19-11/h4-7,11H,2-3,8H2,1H3/t11-/m1/s1
InChIKeyIGTWVICSPYQLIT-LLVKDONJSA-N
XLogP2.37
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 95314954
3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 124505405
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
methyl 4-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]benzoate;hydrochloride
CID 120841376
3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 154879901
N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 56801279
3-[4-(oxiran-2-ylmethoxy)phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 146098585
methyl 4-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]benzoate;hydrochloride
CID 120841404
methyl 1-oxo-2-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]isoquinoline-7-carboxylate
CID 97195665
methyl 4-[5-(5-azaspiro[2.4]heptan-2-yl)-1,2,4-oxadiazol-3-yl]benzoate
CID 120841379
methyl 4-[5-[2-(2-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 119032628
methyl 4-[[4-[4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 50780223

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate?
The IUPAC name of methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate (CID 129370564) is methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate.
What is the SMILES notation for methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate?
The canonical SMILES for methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate is COC(=O)c1ccc(-c2noc([C@H]3CCCO3)n2)cc1.
What is the InChIKey of methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate?
The InChIKey is IGTWVICSPYQLIT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-18-14(17)10-6-4-9(5-7-10)12-15-13(20-16-12)11-3-2-8-19-11/h4-7,11H,2-3,8H2,1H3/t11-/m1/s1.
What are the key properties of methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate?
methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate has a molecular weight of 274.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate is sourced from PubChem (CID 129370564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).