N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide

C16H18F3N5O2 — CID 91792419

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESCCc1nnc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)C2)o1
InChIInChI=1S/C16H18F3N5O2/c1-2-13-22-23-14(26-13)8-21-15(25)10-5-6-24(9-10)12-4-3-11(7-20-12)16(17,18)19/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,21,25)
InChIKeyZZIJPEAIVFHUGZ-UHFFFAOYSA-N
MW369.35 g/mol
LogP2.19
Rot. Bonds5

About N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide (PubChem CID 91792419) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
PubChem CID91792419
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
SMILESCCc1nnc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)C2)o1
InChIInChI=1S/C16H18F3N5O2/c1-2-13-22-23-14(26-13)8-21-15(25)10-5-6-24(9-10)12-4-3-11(7-20-12)16(17,18)19/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,21,25)
InChIKeyZZIJPEAIVFHUGZ-UHFFFAOYSA-N
XLogP2.19
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide (CID 91792419) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide is CCc1nnc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)C2)o1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
The InChIKey is ZZIJPEAIVFHUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-2-13-22-23-14(26-13)8-21-15(25)10-5-6-24(9-10)12-4-3-11(7-20-12)16(17,18)19/h3-4,7,10H,2,5-6,8-9H2,1H3,(H,21,25).
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 91792419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).