N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

C15H15FN6O2 — CID 71931336

IUPACN-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2cn(-c3ccc(F)cc3)nn2)n1
InChIInChI=1S/C15H15FN6O2/c1-9(23)18-15(2,3)14-17-13(24-20-14)12-8-22(21-19-12)11-6-4-10(16)5-7-11/h4-8H,1-3H3,(H,18,23)
InChIKeyIFGCQFTXAFLNDO-UHFFFAOYSA-N
MW330.32 g/mol
LogP1.83
Rot. Bonds4

About N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide

N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 71931336) has the molecular formula C15H15FN6O2 and a molecular weight of 330.32 g/mol. Its IUPAC name is N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID71931336
Molecular FormulaC15H15FN6O2
Molecular Weight330.32 g/mol
Exact Mass330.12
IUPAC NameN-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(-c2cn(-c3ccc(F)cc3)nn2)n1
InChIInChI=1S/C15H15FN6O2/c1-9(23)18-15(2,3)14-17-13(24-20-14)12-8-22(21-19-12)11-6-4-10(16)5-7-11/h4-8H,1-3H3,(H,18,23)
InChIKeyIFGCQFTXAFLNDO-UHFFFAOYSA-N
XLogP1.83
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]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 N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 71931336) is N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(-c2cn(-c3ccc(F)cc3)nn2)n1.
What is the InChIKey of N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is IFGCQFTXAFLNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O2/c1-9(23)18-15(2,3)14-17-13(24-20-14)12-8-22(21-19-12)11-6-4-10(16)5-7-11/h4-8H,1-3H3,(H,18,23).
What are the key properties of N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 330.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[1-(4-fluorophenyl)triazol-4-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 71931336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).