N-benzyl-2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine

C19H15F3N4O — CID 175826794

IUPACN-benzyl-2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine
SMILESFC(F)(F)Cn1c(-c2ncon2)cc2c(NCc3ccccc3)cccc21
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)11-26-16-8-4-7-15(23-10-13-5-2-1-3-6-13)14(16)9-17(26)18-24-12-27-25-18/h1-9,12,23H,10-11H2
InChIKeyPTLATRYLGWLVHJ-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.87
Rot. Bonds5

About N-benzyl-2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine

N-benzyl-2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine (PubChem CID 175826794) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N-benzyl-2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine
PubChem CID175826794
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN-benzyl-2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine
SMILESFC(F)(F)Cn1c(-c2ncon2)cc2c(NCc3ccccc3)cccc21
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)11-26-16-8-4-7-15(23-10-13-5-2-1-3-6-13)14(16)9-17(26)18-24-12-27-25-18/h1-9,12,23H,10-11H2
InChIKeyPTLATRYLGWLVHJ-UHFFFAOYSA-N
XLogP4.87
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-Phenylindazol-1-yl)methyl]-1,2,4-oxadiazole
CID 73504346
1-[1-(2-Methoxyethyl)indol-6-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75440816
US12011444, Example 682
CID 171991036
Indolyl 1,2,4-oxadiazole
CID 135841304
2,3-Dimethyl-7-{[4-(1,2,4-oxadiazol-3-YL)piperidin-1-YL]methyl}-1H-indole
CID 77097556
7-[(2,5-difluorophenyl)methyl]-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 11848013
3-(4-fluoro-1H-indol-7-yl)-1,2,4-oxadiazole
CID 59069153
[4-[3,5-Difluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)indol-1-yl]phenyl]methanamine
CID 67517257
N-[(1-methylindol-3-yl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 71550951
N-[(1-methylindol-3-yl)methyl]-1-[1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-yl]methanamine
CID 71556455
N-[(1-methylindol-3-yl)methyl]-1-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]piperidin-4-amine
CID 71556715
N-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
CID 71556719

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
The IUPAC name of N-benzyl-2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine (CID 175826794) is N-benzyl-2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine.
What is the SMILES notation for N-benzyl-2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
The canonical SMILES for N-benzyl-2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine is FC(F)(F)Cn1c(-c2ncon2)cc2c(NCc3ccccc3)cccc21.
What is the InChIKey of N-benzyl-2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
The InChIKey is PTLATRYLGWLVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)11-26-16-8-4-7-15(23-10-13-5-2-1-3-6-13)14(16)9-17(26)18-24-12-27-25-18/h1-9,12,23H,10-11H2.
What are the key properties of N-benzyl-2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine?
N-benzyl-2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine has a molecular weight of 372.35 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)indol-4-amine is sourced from PubChem (CID 175826794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).