1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one

C18H20FN5O3 — CID 91817106

IUPAC1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cn(C2CN(C(=O)COc3ccccc3F)C2)nn1
InChIInChI=1S/C18H20FN5O3/c19-15-4-1-2-5-16(15)27-12-18(26)23-10-14(11-23)24-9-13(20-21-24)8-22-7-3-6-17(22)25/h1-2,4-5,9,14H,3,6-8,10-12H2
InChIKeyYDAADXIWGKRTED-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.00
Rot. Bonds6

About 1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one

1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one (PubChem CID 91817106) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is 1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
PubChem CID91817106
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC Name1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cn(C2CN(C(=O)COc3ccccc3F)C2)nn1
InChIInChI=1S/C18H20FN5O3/c19-15-4-1-2-5-16(15)27-12-18(26)23-10-14(11-23)24-9-13(20-21-24)8-22-7-3-6-17(22)25/h1-2,4-5,9,14H,3,6-8,10-12H2
InChIKeyYDAADXIWGKRTED-UHFFFAOYSA-N
XLogP1.00
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one 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 1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one (CID 91817106) is 1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1cn(C2CN(C(=O)COc3ccccc3F)C2)nn1.
What is the InChIKey of 1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is YDAADXIWGKRTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3/c19-15-4-1-2-5-16(15)27-12-18(26)23-10-14(11-23)24-9-13(20-21-24)8-22-7-3-6-17(22)25/h1-2,4-5,9,14H,3,6-8,10-12H2.
What are the key properties of 1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 373.39 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[1-[2-(2-fluorophenoxy)acetyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 91817106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).