3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole

C15H18N2O4 — CID 95314954

IUPAC3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
SMILESCOCCOc1ccc(-c2noc([C@H]3CCCO3)n2)cc1
InChIInChI=1S/C15H18N2O4/c1-18-9-10-19-12-6-4-11(5-7-12)14-16-15(21-17-14)13-3-2-8-20-13/h4-7,13H,2-3,8-10H2,1H3/t13-/m1/s1
InChIKeyBEEFHQLEDOHPFA-CYBMUJFWSA-N
MW290.32 g/mol
LogP2.61
Rot. Bonds6

About 3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole

3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole (PubChem CID 95314954) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
PubChem CID95314954
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
SMILESCOCCOc1ccc(-c2noc([C@H]3CCCO3)n2)cc1
InChIInChI=1S/C15H18N2O4/c1-18-9-10-19-12-6-4-11(5-7-12)14-16-15(21-17-14)13-3-2-8-20-13/h4-7,13H,2-3,8-10H2,1H3/t13-/m1/s1
InChIKeyBEEFHQLEDOHPFA-CYBMUJFWSA-N
XLogP2.61
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-(oxiran-2-ylmethoxy)phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 146098585
N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 56801279
methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate
CID 129370564
3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 154879901
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 124505405
5-cyclopropyl-3-[4-[2-[(2S)-oxan-2-yl]oxyethoxy]phenyl]-1,2,4-oxadiazole
CID 99842278
3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 133299444
3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 133294645
5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 45208254
4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine
CID 133299457
[(2S)-2-[3-[6-(4-methoxybutoxy)naphthalen-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-ium-1-ylidene]methanediamine chloride
CID 121256814

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole (CID 95314954) is 3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole is COCCOc1ccc(-c2noc([C@H]3CCCO3)n2)cc1.
What is the InChIKey of 3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole?
The InChIKey is BEEFHQLEDOHPFA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-18-9-10-19-12-6-4-11(5-7-12)14-16-15(21-17-14)13-3-2-8-20-13/h4-7,13H,2-3,8-10H2,1H3/t13-/m1/s1.
What are the key properties of 3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole?
3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole has a molecular weight of 290.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95314954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).