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

C19H16ClF3N4O2 — CID 16566199

IUPAC2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H16ClF3N4O2/c1-27(10-16(28)24-15-5-3-2-4-14(15)19(21,22)23)11-17-25-18(26-29-17)12-6-8-13(20)9-7-12/h2-9H,10-11H2,1H3,(H,24,28)
InChIKeyKYUNFOKRJMEBEW-UHFFFAOYSA-N
MW424.81 g/mol
LogP4.48
Rot. Bonds6

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

2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 16566199) has the molecular formula C19H16ClF3N4O2 and a molecular weight of 424.81 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID16566199
Molecular FormulaC19H16ClF3N4O2
Molecular Weight424.81 g/mol
Exact Mass424.09
IUPAC Name2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C19H16ClF3N4O2/c1-27(10-16(28)24-15-5-3-2-4-14(15)19(21,22)23)11-17-25-18(26-29-17)12-6-8-13(20)9-7-12/h2-9H,10-11H2,1H3,(H,24,28)
InChIKeyKYUNFOKRJMEBEW-UHFFFAOYSA-N
XLogP4.48
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.81
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
CID 4792677
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 17101227
N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
CID 9039208
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 38157257
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912219
2-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26600898
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9197340
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9043871
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
2-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4883947
[2-(trifluoromethyl)phenyl]methyl 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 34420566
2-[[2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30520316

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 16566199) is 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KYUNFOKRJMEBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O2/c1-27(10-16(28)24-15-5-3-2-4-14(15)19(21,22)23)11-17-25-18(26-29-17)12-6-8-13(20)9-7-12/h2-9H,10-11H2,1H3,(H,24,28).
What are the key properties of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 424.81 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16566199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).