2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

C18H17FN4O2 — CID 53114570

IUPAC2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1cccc1-c1nnc(C2CC2)o1)NCc1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2/c19-14-7-3-12(4-8-14)10-20-16(24)11-23-9-1-2-15(23)18-22-21-17(25-18)13-5-6-13/h1-4,7-9,13H,5-6,10-11H2,(H,20,24)
InChIKeyOTVJVGPTVVFJGD-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.87
Rot. Bonds6

About 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 53114570) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID53114570
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1cccc1-c1nnc(C2CC2)o1)NCc1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2/c19-14-7-3-12(4-8-14)10-20-16(24)11-23-9-1-2-15(23)18-22-21-17(25-18)13-5-6-13/h1-4,7-9,13H,5-6,10-11H2,(H,20,24)
InChIKeyOTVJVGPTVVFJGD-UHFFFAOYSA-N
XLogP2.87
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide 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 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 53114570) is 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is O=C(Cn1cccc1-c1nnc(C2CC2)o1)NCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is OTVJVGPTVVFJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-14-7-3-12(4-8-14)10-20-16(24)11-23-9-1-2-15(23)18-22-21-17(25-18)13-5-6-13/h1-4,7-9,13H,5-6,10-11H2,(H,20,24).
What are the key properties of 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 340.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 53114570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).