1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone

C23H18F3N5O3 — CID 44523980

IUPAC1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C23H18F3N5O3/c24-23(25,26)22-28-19(29-34-22)15-2-1-3-16(12-15)20(32)30-8-10-31(11-9-30)21(33)17-5-4-14-6-7-27-18(14)13-17/h1-7,12-13,27H,8-11H2
InChIKeyOOBRVNQIHBJQHL-UHFFFAOYSA-N
MW469.42 g/mol
LogP3.83
Rot. Bonds3

About 1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone

1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone (PubChem CID 44523980) has the molecular formula C23H18F3N5O3 and a molecular weight of 469.42 g/mol. Its IUPAC name is 1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone
PubChem CID44523980
Molecular FormulaC23H18F3N5O3
Molecular Weight469.42 g/mol
Exact Mass469.14
IUPAC Name1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1
InChIInChI=1S/C23H18F3N5O3/c24-23(25,26)22-28-19(29-34-22)15-2-1-3-16(12-15)20(32)30-8-10-31(11-9-30)21(33)17-5-4-14-6-7-27-18(14)13-17/h1-7,12-13,27H,8-11H2
InChIKeyOOBRVNQIHBJQHL-UHFFFAOYSA-N
XLogP3.83
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone (CID 44523980) is 1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone is O=C(c1cccc(-c2noc(C(F)(F)F)n2)c1)N1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1.
What is the InChIKey of 1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone?
The InChIKey is OOBRVNQIHBJQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O3/c24-23(25,26)22-28-19(29-34-22)15-2-1-3-16(12-15)20(32)30-8-10-31(11-9-30)21(33)17-5-4-14-6-7-27-18(14)13-17/h1-7,12-13,27H,8-11H2.
What are the key properties of 1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone?
1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone has a molecular weight of 469.42 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl-[4-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 44523980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).