2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide

C19H17F3N4O3 — CID 3238096

IUPAC2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(-c2noc(N(C)CC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C19H17F3N4O3/c1-26(11-16(27)23-14-5-3-4-13(10-14)19(20,21)22)18-24-17(25-29-18)12-6-8-15(28-2)9-7-12/h3-10H,11H2,1-2H3,(H,23,27)
InChIKeyWDMWJMVFRAYASA-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.84
Rot. Bonds6

About 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 3238096) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID3238096
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Name2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(-c2noc(N(C)CC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C19H17F3N4O3/c1-26(11-16(27)23-14-5-3-4-13(10-14)19(20,21)22)18-24-17(25-29-18)12-6-8-15(28-2)9-7-12/h3-10H,11H2,1-2H3,(H,23,27)
InChIKeyWDMWJMVFRAYASA-UHFFFAOYSA-N
XLogP3.84
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)-N-phenylpiperazine-1-carboxamide
CID 15978998
N-{3-[4-(5-Methyl-[1,2,4]oxadiazol-3-yl)-phenoxy]-phenyl}-acetamide
CID 655521
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)propanamide
CID 665665
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 666363
1-(4-Methoxyphenyl)-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 1086608
N-(3,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 1250111
1-{[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-phenylpiperazine
CID 2215139
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 3225914
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 3226073
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3236100
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)propanamide
CID 3239198
1-[4-(2,5-Dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 3241668

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 3238096) is 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is COc1ccc(-c2noc(N(C)CC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WDMWJMVFRAYASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c1-26(11-16(27)23-14-5-3-4-13(10-14)19(20,21)22)18-24-17(25-29-18)12-6-8-15(28-2)9-7-12/h3-10H,11H2,1-2H3,(H,23,27).
What are the key properties of 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 406.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3238096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).