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

C17H19F3N4O2 — CID 53039392

IUPACN-propyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C17H19F3N4O2/c1-2-8-21-16(25)24-9-4-7-13(24)15-22-14(23-26-15)11-5-3-6-12(10-11)17(18,19)20/h3,5-6,10,13H,2,4,7-9H2,1H3,(H,21,25)
InChIKeyNBHVMGYQJHBEAI-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.01
Rot. Bonds4

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

N-propyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 53039392) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-propyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-propyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
PubChem CID53039392
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-propyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C17H19F3N4O2/c1-2-8-21-16(25)24-9-4-7-13(24)15-22-14(23-26-15)11-5-3-6-12(10-11)17(18,19)20/h3,5-6,10,13H,2,4,7-9H2,1H3,(H,21,25)
InChIKeyNBHVMGYQJHBEAI-UHFFFAOYSA-N
XLogP4.01
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-propyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 53039392) is N-propyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-propyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-propyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is CCCNC(=O)N1CCCC1c1nc(-c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of N-propyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
The InChIKey is NBHVMGYQJHBEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-2-8-21-16(25)24-9-4-7-13(24)15-22-14(23-26-15)11-5-3-6-12(10-11)17(18,19)20/h3,5-6,10,13H,2,4,7-9H2,1H3,(H,21,25).
What are the key properties of N-propyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?
N-propyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 53039392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).