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

C11H10ClN3O — CID 84699115

IUPAC2-(azetidin-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(C3CNC3)o2)cc1
InChIInChI=1S/C11H10ClN3O/c12-9-3-1-7(2-4-9)10-14-15-11(16-10)8-5-13-6-8/h1-4,8,13H,5-6H2
InChIKeyVVJOSUCNWOFPPQ-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.08
Rot. Bonds2

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

2-(azetidin-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole (PubChem CID 84699115) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
PubChem CID84699115
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name2-(azetidin-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(C3CNC3)o2)cc1
InChIInChI=1S/C11H10ClN3O/c12-9-3-1-7(2-4-9)10-14-15-11(16-10)8-5-13-6-8/h1-4,8,13H,5-6H2
InChIKeyVVJOSUCNWOFPPQ-UHFFFAOYSA-N
XLogP2.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 22308659
2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615410
2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
CID 165399699
2-(4-chlorophenyl)-5-[(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137234
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 39359301
2-(4-methoxyphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 22308679
1-[4-[(3S)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 51137256
2-(4-chlorophenyl)-5-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 30701901
2-(4-chlorophenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137247
4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline
CID 3692244

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(azetidin-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole (CID 84699115) is 2-(azetidin-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(C3CNC3)o2)cc1.
What is the InChIKey of 2-(azetidin-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole?
The InChIKey is VVJOSUCNWOFPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-9-3-1-7(2-4-9)10-14-15-11(16-10)8-5-13-6-8/h1-4,8,13H,5-6H2.
What are the key properties of 2-(azetidin-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole?
2-(azetidin-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole has a molecular weight of 235.67 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 84699115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).