N-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C20H15F3N4O2 — CID 177381808

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C20H15F3N4O2/c21-20(22,23)19-26-17(27-29-19)12-5-7-13(8-6-12)18(28)24-10-9-14-11-25-16-4-2-1-3-15(14)16/h1-8,11,25H,9-10H2,(H,24,28)
InChIKeyZFZJIPVEQXFDIS-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.21
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 177381808) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID177381808
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C20H15F3N4O2/c21-20(22,23)19-26-17(27-29-19)12-5-7-13(8-6-12)18(28)24-10-9-14-11-25-16-4-2-1-3-15(14)16/h1-8,11,25H,9-10H2,(H,24,28)
InChIKeyZFZJIPVEQXFDIS-UHFFFAOYSA-N
XLogP4.21
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 177381808) is N-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is ZFZJIPVEQXFDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c21-20(22,23)19-26-17(27-29-19)12-5-7-13(8-6-12)18(28)24-10-9-14-11-25-16-4-2-1-3-15(14)16/h1-8,11,25H,9-10H2,(H,24,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 400.36 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 177381808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).