5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole

C12H12ClN3O — CID 64612280

IUPAC5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1cccc(-c2noc(CC3CNC3)n2)c1
InChIInChI=1S/C12H12ClN3O/c13-10-3-1-2-9(5-10)12-15-11(17-16-12)4-8-6-14-7-8/h1-3,5,8,14H,4,6-7H2
InChIKeyBOSWHSZVVOEDCJ-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.15
Rot. Bonds3

About 5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole

5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole (PubChem CID 64612280) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
PubChem CID64612280
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
SMILESClc1cccc(-c2noc(CC3CNC3)n2)c1
InChIInChI=1S/C12H12ClN3O/c13-10-3-1-2-9(5-10)12-15-11(17-16-12)4-8-6-14-7-8/h1-3,5,8,14H,4,6-7H2
InChIKeyBOSWHSZVVOEDCJ-UHFFFAOYSA-N
XLogP2.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 113310677
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole;hydrochloride
CID 119947808
5-(azetidin-3-ylmethyl)-3-(3,4-difluorophenyl)-1,2,4-oxadiazole
CID 64610434
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethylazetidin-3-amine
CID 66181534
5-(azetidin-3-ylmethyl)-3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 106818688
3-[5-(piperidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921243
3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81048775
5-(azetidin-3-ylmethyl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 106847359
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346434
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidine-3-carboxamide
CID 119326204
3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 120756741
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 119792078

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole (CID 64612280) is 5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole is Clc1cccc(-c2noc(CC3CNC3)n2)c1.
What is the InChIKey of 5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
The InChIKey is BOSWHSZVVOEDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-10-3-1-2-9(5-10)12-15-11(17-16-12)4-8-6-14-7-8/h1-3,5,8,14H,4,6-7H2.
What are the key properties of 5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole?
5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole has a molecular weight of 249.70 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 64612280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).