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

C20H24ClN3O3 — CID 24790598

IUPAC3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one
SMILESO=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)N1CCCC(O)C1
InChIInChI=1S/C20H24ClN3O3/c21-15-6-4-14(5-7-15)20(10-2-11-20)19-23-22-17(27-19)8-9-18(26)24-12-1-3-16(25)13-24/h4-7,16,25H,1-3,8-13H2
InChIKeyBNBPOSQGIDNUNS-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.11
Rot. Bonds5

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

3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 24790598) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one
PubChem CID24790598
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one
SMILESO=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)N1CCCC(O)C1
InChIInChI=1S/C20H24ClN3O3/c21-15-6-4-14(5-7-15)20(10-2-11-20)19-23-22-17(27-19)8-9-18(26)24-12-1-3-16(25)13-24/h4-7,16,25H,1-3,8-13H2
InChIKeyBNBPOSQGIDNUNS-UHFFFAOYSA-N
XLogP3.11
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(3-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one (CID 24790598) is 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one is O=C(CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1)N1CCCC(O)C1.
What is the InChIKey of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is BNBPOSQGIDNUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c21-15-6-4-14(5-7-15)20(10-2-11-20)19-23-22-17(27-19)8-9-18(26)24-12-1-3-16(25)13-24/h4-7,16,25H,1-3,8-13H2.
What are the key properties of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one?
3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 389.88 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-(3-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 24790598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).