3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole

C12H13N3O — CID 84681088

IUPAC3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(C3CNC3)no2)cc1
InChIInChI=1S/C12H13N3O/c1-8-2-4-9(5-3-8)12-14-11(15-16-12)10-6-13-7-10/h2-5,10,13H,6-7H2,1H3
InChIKeyMUMUPYNSJHZLLK-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.73
Rot. Bonds2

About 3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole

3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 84681088) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID84681088
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(C3CNC3)no2)cc1
InChIInChI=1S/C12H13N3O/c1-8-2-4-9(5-3-8)12-14-11(15-16-12)10-6-13-7-10/h2-5,10,13H,6-7H2,1H3
InChIKeyMUMUPYNSJHZLLK-UHFFFAOYSA-N
XLogP1.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylphenyl)-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939484
5-(4-fluorophenyl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 84696560
3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 59657786
5-phenyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 99727838
5-(4-methylsulfanylphenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 79205715
4-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137002863
5-(4-methoxyphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015385
5-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 86326580
5-(4-phenylphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 59657751
5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 139035121
5-(4-fluorophenyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 77183129
5-(3-methyl-4-nitrophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 104637697

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole (CID 84681088) is 3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2nc(C3CNC3)no2)cc1.
What is the InChIKey of 3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is MUMUPYNSJHZLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-2-4-9(5-3-8)12-14-11(15-16-12)10-6-13-7-10/h2-5,10,13H,6-7H2,1H3.
What are the key properties of 3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 215.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 84681088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).