N-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide

C22H22ClN3O2 — CID 83288981

IUPACN-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(CCc1nc(-c2ccc(Cl)cc2)no1)Cc1ccccc1
InChIInChI=1S/C22H22ClN3O2/c23-19-11-9-17(10-12-19)21-24-20(28-25-21)13-14-26(22(27)18-7-4-8-18)15-16-5-2-1-3-6-16/h1-3,5-6,9-12,18H,4,7-8,13-15H2
InChIKeyFHYOORRQFZMSSK-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.76
Rot. Bonds7

About N-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide

N-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide (PubChem CID 83288981) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
PubChem CID83288981
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(CCc1nc(-c2ccc(Cl)cc2)no1)Cc1ccccc1
InChIInChI=1S/C22H22ClN3O2/c23-19-11-9-17(10-12-19)21-24-20(28-25-21)13-14-26(22(27)18-7-4-8-18)15-16-5-2-1-3-6-16/h1-3,5-6,9-12,18H,4,7-8,13-15H2
InChIKeyFHYOORRQFZMSSK-UHFFFAOYSA-N
XLogP4.76
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83290453
N-benzyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 46129149
N-benzyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide
CID 46129136
N-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 83288955
3-[benzyl-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide
CID 34911157
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
N-benzyl-2-phenylmethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 83289891
2-[benzyl-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 42287027
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 83289864
1-[(3R)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 25448073
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 4897572
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenylbutanamide
CID 8874898

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide (CID 83288981) is N-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide is O=C(C1CCC1)N(CCc1nc(-c2ccc(Cl)cc2)no1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is FHYOORRQFZMSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c23-19-11-9-17(10-12-19)21-24-20(28-25-21)13-14-26(22(27)18-7-4-8-18)15-16-5-2-1-3-6-16/h1-3,5-6,9-12,18H,4,7-8,13-15H2.
What are the key properties of N-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide?
N-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 83288981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).