N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide

C24H26F3N3O5 — CID 93117468

IUPACN-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide
SMILESCC[C@@H](C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1
InChIInChI=1S/C24H26F3N3O5/c1-6-13(2)19(28-22(31)14-7-9-16(10-8-14)24(25,26)27)23-29-21(30-35-23)15-11-17(32-3)20(34-5)18(12-15)33-4/h7-13,19H,6H2,1-5H3,(H,28,31)/t13-,19-/m1/s1
InChIKeyCEZDOBRRLWYZJK-BFUOFWGJSA-N
MW493.48 g/mol
LogP5.30
Rot. Bonds9

About N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide

N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide (PubChem CID 93117468) has the molecular formula C24H26F3N3O5 and a molecular weight of 493.48 g/mol. Its IUPAC name is N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide
PubChem CID93117468
Molecular FormulaC24H26F3N3O5
Molecular Weight493.48 g/mol
Exact Mass493.18
IUPAC NameN-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide
SMILESCC[C@@H](C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1
InChIInChI=1S/C24H26F3N3O5/c1-6-13(2)19(28-22(31)14-7-9-16(10-8-14)24(25,26)27)23-29-21(30-35-23)15-11-17(32-3)20(34-5)18(12-15)33-4/h7-13,19H,6H2,1-5H3,(H,28,31)/t13-,19-/m1/s1
InChIKeyCEZDOBRRLWYZJK-BFUOFWGJSA-N
XLogP5.30
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.48
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]benzamide
CID 93117452
N-[(1S,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]furan-2-carboxamide
CID 93071124
2-chloro-N-[2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]acetamide
CID 42797782
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-(trifluoromethyl)benzamide
CID 83273053
N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide
CID 93117460
3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide
CID 83280023
1-(4-methylsulfanylphenyl)-3-[2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]urea
CID 42797916
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-4-methylbenzamide
CID 83288304
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 83279748
4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 98695111
N-(2-methylpropyl)-4-(trifluoromethyl)-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83280223
N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83288684

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide (CID 93117468) is N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide is CC[C@@H](C)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(-c2cc(OC)c(OC)c(OC)c2)no1.
What is the InChIKey of N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide?
The InChIKey is CEZDOBRRLWYZJK-BFUOFWGJSA-N. The full InChI is InChI=1S/C24H26F3N3O5/c1-6-13(2)19(28-22(31)14-7-9-16(10-8-14)24(25,26)27)23-29-21(30-35-23)15-11-17(32-3)20(34-5)18(12-15)33-4/h7-13,19H,6H2,1-5H3,(H,28,31)/t13-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide?
N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide has a molecular weight of 493.48 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 93117468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).