N-[(4-fluorophenyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide

C17H15FN4O3 — CID 53141472

IUPACN-[(4-fluorophenyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide
SMILESCc1noc(-c2cccc(=O)n2CC(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C17H15FN4O3/c1-11-20-17(25-21-11)14-3-2-4-16(24)22(14)10-15(23)19-9-12-5-7-13(18)8-6-12/h2-8H,9-10H2,1H3,(H,19,23)
InChIKeyNXWIIKFORIRBME-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.66
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide

N-[(4-fluorophenyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide (PubChem CID 53141472) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide
PubChem CID53141472
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide
SMILESCc1noc(-c2cccc(=O)n2CC(=O)NCc2ccc(F)cc2)n1
InChIInChI=1S/C17H15FN4O3/c1-11-20-17(25-21-11)14-3-2-4-16(24)22(14)10-15(23)19-9-12-5-7-13(18)8-6-12/h2-8H,9-10H2,1H3,(H,19,23)
InChIKeyNXWIIKFORIRBME-UHFFFAOYSA-N
XLogP1.66
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide (CID 53141472) is N-[(4-fluorophenyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide is Cc1noc(-c2cccc(=O)n2CC(=O)NCc2ccc(F)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide?
The InChIKey is NXWIIKFORIRBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-11-20-17(25-21-11)14-3-2-4-16(24)22(14)10-15(23)19-9-12-5-7-13(18)8-6-12/h2-8H,9-10H2,1H3,(H,19,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide has a molecular weight of 342.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53141472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).