N-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide

C23H18F3N3O3 — CID 83279079

IUPACN-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N(CCc1nc(-c2ccccc2)no1)Cc1ccco1
InChIInChI=1S/C23H18F3N3O3/c24-23(25,26)18-10-8-17(9-11-18)22(30)29(15-19-7-4-14-31-19)13-12-20-27-21(28-32-20)16-5-2-1-3-6-16/h1-11,14H,12-13,15H2
InChIKeyYMZZHDCSGOGARG-UHFFFAOYSA-N
MW441.41 g/mol
LogP5.23
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide

N-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide (PubChem CID 83279079) has the molecular formula C23H18F3N3O3 and a molecular weight of 441.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
PubChem CID83279079
Molecular FormulaC23H18F3N3O3
Molecular Weight441.41 g/mol
Exact Mass441.13
IUPAC NameN-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
SMILESO=C(c1ccc(C(F)(F)F)cc1)N(CCc1nc(-c2ccccc2)no1)Cc1ccco1
InChIInChI=1S/C23H18F3N3O3/c24-23(25,26)18-10-8-17(9-11-18)22(30)29(15-19-7-4-14-31-19)13-12-20-27-21(28-32-20)16-5-2-1-3-6-16/h1-11,14H,12-13,15H2
InChIKeyYMZZHDCSGOGARG-UHFFFAOYSA-N
XLogP5.23
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 83277254
N-(furan-2-ylmethyl)-4-methoxy-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83275000
N-benzyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288859
2-chloro-N-(furan-2-ylmethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 42808948
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 83277431
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-benzyl-4-(trifluoromethyl)benzamide
CID 83290392
N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
CID 83277255
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 83272653
N-cyclopropyl-4-[[furan-2-ylmethyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzamide
CID 34216722
4-methyl-N-(2-methylpropyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 42808968
N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 42760198
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 46133782

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide (CID 83279079) is N-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide is O=C(c1ccc(C(F)(F)F)cc1)N(CCc1nc(-c2ccccc2)no1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is YMZZHDCSGOGARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O3/c24-23(25,26)18-10-8-17(9-11-18)22(30)29(15-19-7-4-14-31-19)13-12-20-27-21(28-32-20)16-5-2-1-3-6-16/h1-11,14H,12-13,15H2.
What are the key properties of N-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide?
N-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 441.41 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 83279079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).