N-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide

C11H11FN4O2 — CID 144538865

IUPACN-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNc1cc(NC(=O)c2noc(C)n2)ccc1F
InChIInChI=1S/C11H11FN4O2/c1-6-14-10(16-18-6)11(17)15-7-3-4-8(12)9(5-7)13-2/h3-5,13H,1-2H3,(H,15,17)
InChIKeyLFFOPHFWNQXORC-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.81
Rot. Bonds3

About N-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide

N-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 144538865) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is N-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID144538865
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC NameN-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNc1cc(NC(=O)c2noc(C)n2)ccc1F
InChIInChI=1S/C11H11FN4O2/c1-6-14-10(16-18-6)11(17)15-7-3-4-8(12)9(5-7)13-2/h3-5,13H,1-2H3,(H,15,17)
InChIKeyLFFOPHFWNQXORC-UHFFFAOYSA-N
XLogP1.81
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-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

Related Compounds

2-(5-methyl-1H-tetrazol-1-yl)-N-(3-nitrophenyl)acetamide
CID 699587
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-fluoro-2-iodoaniline
CID 84587001
N-methyl-3-(2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)-1,2,4-oxadiazole-5-carboxamide
CID 45491667
1-(2-((4-fluorophenyl)amino)-2-oxoethyl)-N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)piperidine-4-carboxamide
CID 45497724
1-(4-fluorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 49722207
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 51075886
1-[2-(5-Methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-phenylurea
CID 53566494
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dipyrrolidin-1-ylaniline
CID 53614807
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 56764467
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperidin-1-ylaniline
CID 60375951
3,4-difluoro-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 71852681
1-[1-[5-[(Dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-(3-fluorophenyl)urea
CID 75372290

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide (CID 144538865) is N-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide is CNc1cc(NC(=O)c2noc(C)n2)ccc1F.
What is the InChIKey of N-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is LFFOPHFWNQXORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-6-14-10(16-18-6)11(17)15-7-3-4-8(12)9(5-7)13-2/h3-5,13H,1-2H3,(H,15,17).
What are the key properties of N-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
N-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 250.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(methylamino)phenyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 144538865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).