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

C18H16ClN3O2 — CID 154781523

IUPAC3-[3-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-4-one
SMILESCn1ccc(=O)c(-c2nc(C3(c4cccc(Cl)c4)CCC3)no2)c1
InChIInChI=1S/C18H16ClN3O2/c1-22-9-6-15(23)14(11-22)16-20-17(21-24-16)18(7-3-8-18)12-4-2-5-13(19)10-12/h2,4-6,9-11H,3,7-8H2,1H3
InChIKeyANFFQBBNGVJQIU-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.56
Rot. Bonds3

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

3-[3-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-4-one (PubChem CID 154781523) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-[3-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-4-one.

Molecular Properties

Compound Name3-[3-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-4-one
PubChem CID154781523
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name3-[3-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-4-one
SMILESCn1ccc(=O)c(-c2nc(C3(c4cccc(Cl)c4)CCC3)no2)c1
InChIInChI=1S/C18H16ClN3O2/c1-22-9-6-15(23)14(11-22)16-20-17(21-24-16)18(7-3-8-18)12-4-2-5-13(19)10-12/h2,4-6,9-11H,3,7-8H2,1H3
InChIKeyANFFQBBNGVJQIU-UHFFFAOYSA-N
XLogP3.56
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[4-(3-chlorophenyl)oxan-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852778
1-[5-[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858902
2-methyl-3-[3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-one
CID 166307750
1-[5-[1-(3-chlorophenyl)pyrazol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862151
4-bromo-2-[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 174552789
3-[[5-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 71863997
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336
5-chloro-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136857835
1-[5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850498
1-(3-chlorophenyl)cyclopentane-1-carbaldehyde
CID 14382190
1-(3-chlorophenyl)cyclohexane-1-carbaldehyde
CID 82127956
5-(2-methylpyrazol-3-yl)-3-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]-1,2,4-oxadiazole
CID 166210810

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-4-one?
The IUPAC name of 3-[3-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-4-one (CID 154781523) is 3-[3-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-4-one.
What is the SMILES notation for 3-[3-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-4-one?
The canonical SMILES for 3-[3-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-4-one is Cn1ccc(=O)c(-c2nc(C3(c4cccc(Cl)c4)CCC3)no2)c1.
What is the InChIKey of 3-[3-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-4-one?
The InChIKey is ANFFQBBNGVJQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-22-9-6-15(23)14(11-22)16-20-17(21-24-16)18(7-3-8-18)12-4-2-5-13(19)10-12/h2,4-6,9-11H,3,7-8H2,1H3.
What are the key properties of 3-[3-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-4-one?
3-[3-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-4-one has a molecular weight of 341.80 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(3-chlorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]-1-methylpyridin-4-one is sourced from PubChem (CID 154781523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).