N-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide

C24H24F3N3O2 — CID 83288955

IUPACN-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(CCc1ccccc1)CCc1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C24H24F3N3O2/c25-24(26,27)20-11-5-10-19(16-20)22-28-21(32-29-22)13-15-30(23(31)18-8-4-9-18)14-12-17-6-2-1-3-7-17/h1-3,5-7,10-11,16,18H,4,8-9,12-15H2
InChIKeyAILVRVUMRMFANC-UHFFFAOYSA-N
MW443.47 g/mol
LogP5.17
Rot. Bonds8

About N-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide

N-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide (PubChem CID 83288955) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is N-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
PubChem CID83288955
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC NameN-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(CCc1ccccc1)CCc1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C24H24F3N3O2/c25-24(26,27)20-11-5-10-19(16-20)22-28-21(32-29-22)13-15-30(23(31)18-8-4-9-18)14-12-17-6-2-1-3-7-17/h1-3,5-7,10-11,16,18H,4,8-9,12-15H2
InChIKeyAILVRVUMRMFANC-UHFFFAOYSA-N
XLogP5.17
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 83289080
N-benzyl-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 83288981
N-benzyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 46129149
N,N-dimethyl-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 46407078
2-chloro-N-(furan-2-ylmethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 42808948
N-benzyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide
CID 46129136
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-benzyl-4-(trifluoromethyl)benzamide
CID 83290392
N-(oxolan-2-ylmethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 133200584
1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904082
4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191685
N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
CID 42698365
N-benzhydryl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100756426

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide (CID 83288955) is N-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide is O=C(C1CCC1)N(CCc1ccccc1)CCc1nc(-c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of N-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is AILVRVUMRMFANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c25-24(26,27)20-11-5-10-19(16-20)22-28-21(32-29-22)13-15-30(23(31)18-8-4-9-18)14-12-17-6-2-1-3-7-17/h1-3,5-7,10-11,16,18H,4,8-9,12-15H2.
What are the key properties of N-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide?
N-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 443.47 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 83288955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).