3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one

C19H22ClN3O2 — CID 24791528

IUPAC3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)N1CCCC1
InChIInChI=1S/C19H22ClN3O2/c20-15-6-4-14(5-7-15)19(10-3-11-19)18-22-21-16(25-18)8-9-17(24)23-12-1-2-13-23/h4-7H,1-3,8-13H2
InChIKeyLSDRKOKNBMOFGA-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.75
Rot. Bonds5

About 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 24791528) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID24791528
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)N1CCCC1
InChIInChI=1S/C19H22ClN3O2/c20-15-6-4-14(5-7-15)19(10-3-11-19)18-22-21-16(25-18)8-9-17(24)23-12-1-2-13-23/h4-7H,1-3,8-13H2
InChIKeyLSDRKOKNBMOFGA-UHFFFAOYSA-N
XLogP3.75
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 24791528) is 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)N1CCCC1.
What is the InChIKey of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is LSDRKOKNBMOFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-15-6-4-14(5-7-15)19(10-3-11-19)18-22-21-16(25-18)8-9-17(24)23-12-1-2-13-23/h4-7H,1-3,8-13H2.
What are the key properties of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 359.86 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 24791528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).