N-cyclopentyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

C19H21F3N4O2 — CID 53039390

IUPACN-cyclopentyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)13-6-3-5-12(11-13)16-24-17(28-25-16)15-9-4-10-26(15)18(27)23-14-7-1-2-8-14/h3,5-6,11,14-15H,1-2,4,7-10H2,(H,23,27)
InChIKeyLRXQGAOHBIMSOT-UHFFFAOYSA-N
MW394.40 g/mol
LogP4.54
Rot. Bonds3

About N-cyclopentyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

N-cyclopentyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 53039390) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID53039390
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN-cyclopentyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C19H21F3N4O2/c20-19(21,22)13-6-3-5-12(11-13)16-24-17(28-25-16)15-9-4-10-26(15)18(27)23-14-7-1-2-8-14/h3,5-6,11,14-15H,1-2,4,7-10H2,(H,23,27)
InChIKeyLRXQGAOHBIMSOT-UHFFFAOYSA-N
XLogP4.54
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 53039390) is N-cyclopentyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is O=C(NC1CCCC1)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of N-cyclopentyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is LRXQGAOHBIMSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c20-19(21,22)13-6-3-5-12(11-13)16-24-17(28-25-16)15-9-4-10-26(15)18(27)23-14-7-1-2-8-14/h3,5-6,11,14-15H,1-2,4,7-10H2,(H,23,27).
What are the key properties of N-cyclopentyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
N-cyclopentyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 53039390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).