N-[(1-benzoylpyrrolidin-2-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C22H19F3N4O3 — CID 129307969

IUPACN-[(1-benzoylpyrrolidin-2-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCC1CCCN1C(=O)c1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)21-27-18(28-32-21)14-8-10-15(11-9-14)19(30)26-13-17-7-4-12-29(17)20(31)16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,26,30)
InChIKeySJVQTGZQSDFEDT-UHFFFAOYSA-N
MW444.41 g/mol
LogP3.79
Rot. Bonds5

About N-[(1-benzoylpyrrolidin-2-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[(1-benzoylpyrrolidin-2-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 129307969) has the molecular formula C22H19F3N4O3 and a molecular weight of 444.41 g/mol. Its IUPAC name is N-[(1-benzoylpyrrolidin-2-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[(1-benzoylpyrrolidin-2-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID129307969
Molecular FormulaC22H19F3N4O3
Molecular Weight444.41 g/mol
Exact Mass444.14
IUPAC NameN-[(1-benzoylpyrrolidin-2-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCC1CCCN1C(=O)c1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)21-27-18(28-32-21)14-8-10-15(11-9-14)19(30)26-13-17-7-4-12-29(17)20(31)16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,26,30)
InChIKeySJVQTGZQSDFEDT-UHFFFAOYSA-N
XLogP3.79
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzoylpyrrolidin-2-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[(1-benzoylpyrrolidin-2-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 129307969) is N-[(1-benzoylpyrrolidin-2-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[(1-benzoylpyrrolidin-2-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[(1-benzoylpyrrolidin-2-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(NCC1CCCN1C(=O)c1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[(1-benzoylpyrrolidin-2-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is SJVQTGZQSDFEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c23-22(24,25)21-27-18(28-32-21)14-8-10-15(11-9-14)19(30)26-13-17-7-4-12-29(17)20(31)16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,26,30).
What are the key properties of N-[(1-benzoylpyrrolidin-2-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[(1-benzoylpyrrolidin-2-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 444.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzoylpyrrolidin-2-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 129307969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).