5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

C12H13N3O2 — CID 120841721

IUPAC5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc([C@H]3CCN3)n2)c1
InChIInChI=1S/C12H13N3O2/c1-16-9-4-2-3-8(7-9)11-14-12(17-15-11)10-5-6-13-10/h2-4,7,10,13H,5-6H2,1H3/t10-/m1/s1
InChIKeyHFHVDXBQGXHQHT-SNVBAGLBSA-N
MW231.25 g/mol
LogP1.78
Rot. Bonds3

About 5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 120841721) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID120841721
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc([C@H]3CCN3)n2)c1
InChIInChI=1S/C12H13N3O2/c1-16-9-4-2-3-8(7-9)11-14-12(17-15-11)10-5-6-13-10/h2-4,7,10,13H,5-6H2,1H3/t10-/m1/s1
InChIKeyHFHVDXBQGXHQHT-SNVBAGLBSA-N
XLogP1.78
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424834
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805640
3-(3-methoxyphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032530
3-(3-methoxyphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120841699
3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119948489
5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 120841006
3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole
CID 43519282
3-(4-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424831
3-(3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43109257
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 120841721) is 5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is COc1cccc(-c2noc([C@H]3CCN3)n2)c1.
What is the InChIKey of 5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is HFHVDXBQGXHQHT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-16-9-4-2-3-8(7-9)11-14-12(17-15-11)10-5-6-13-10/h2-4,7,10,13H,5-6H2,1H3/t10-/m1/s1.
What are the key properties of 5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 231.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 120841721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).