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

C19H18F3N3O3 — CID 83273053

IUPACN-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide
SMILESCCC(C)C(NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccco2)no1
InChIInChI=1S/C19H18F3N3O3/c1-3-11(2)15(18-24-16(25-28-18)14-5-4-10-27-14)23-17(26)12-6-8-13(9-7-12)19(20,21)22/h4-11,15H,3H2,1-2H3,(H,23,26)
InChIKeyZGGMXYKOXKBWSM-UHFFFAOYSA-N
MW393.37 g/mol
LogP4.87
Rot. Bonds6

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

N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide (PubChem CID 83273053) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide
PubChem CID83273053
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC NameN-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide
SMILESCCC(C)C(NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccco2)no1
InChIInChI=1S/C19H18F3N3O3/c1-3-11(2)15(18-24-16(25-28-18)14-5-4-10-27-14)23-17(26)12-6-8-13(9-7-12)19(20,21)22/h4-11,15H,3H2,1-2H3,(H,23,26)
InChIKeyZGGMXYKOXKBWSM-UHFFFAOYSA-N
XLogP4.87
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide
CID 83277387
N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide
CID 93117468
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide
CID 83273049
3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide
CID 83280023
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide
CID 83288304
N-[(1R,2S)-2-methyl-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butyl]furan-2-carboxamide
CID 98370359
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 83279748
4-methoxy-N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]benzamide
CID 93117452
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-4-(trifluoromethyl)benzamide
CID 90563328
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288684
N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide
CID 91635492
N-[(1S,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]furan-2-carboxamide
CID 93071124

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide (CID 83273053) is N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide is CCC(C)C(NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2ccco2)no1.
What is the InChIKey of N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide?
The InChIKey is ZGGMXYKOXKBWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-3-11(2)15(18-24-16(25-28-18)14-5-4-10-27-14)23-17(26)12-6-8-13(9-7-12)19(20,21)22/h4-11,15H,3H2,1-2H3,(H,23,26).
What are the key properties of N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide?
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide has a molecular weight of 393.37 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 83273053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).