azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone

C12H10ClN3O2 — CID 123489752

IUPACazetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESO=C(c1nnc(-c2ccc(Cl)cc2)o1)N1CCC1
InChIInChI=1S/C12H10ClN3O2/c13-9-4-2-8(3-5-9)10-14-15-11(18-10)12(17)16-6-1-7-16/h2-5H,1,6-7H2
InChIKeyUJGVZXTZRGDUJA-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.24
Rot. Bonds2

About azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone

azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 123489752) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone
PubChem CID123489752
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Nameazetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESO=C(c1nnc(-c2ccc(Cl)cc2)o1)N1CCC1
InChIInChI=1S/C12H10ClN3O2/c13-9-4-2-8(3-5-9)10-14-15-11(18-10)12(17)16-6-1-7-16/h2-5H,1,6-7H2
InChIKeyUJGVZXTZRGDUJA-UHFFFAOYSA-N
XLogP2.24
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)-pyrrolidin-1-ylmethanone
CID 110390874
azepan-1-yl-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 46393407
1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperazin-1-yl]ethanone
CID 110392615
[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 50837253
[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 110392413
[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 110392676
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 861518
(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylpropan-1-one
CID 7940540
(4-benzylpiperazin-1-yl)-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391085
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 167925736
5-(4-chlorophenyl)-N-cycloheptyl-1,3,4-oxadiazole-2-carboxamide
CID 110391563
ethyl 4-[5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperazine-1-carboxylate
CID 110392654

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone (CID 123489752) is azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone is O=C(c1nnc(-c2ccc(Cl)cc2)o1)N1CCC1.
What is the InChIKey of azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is UJGVZXTZRGDUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-9-4-2-8(3-5-9)10-14-15-11(18-10)12(17)16-6-1-7-16/h2-5H,1,6-7H2.
What are the key properties of azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone?
azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 263.68 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 123489752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).