N-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine

C10H8F4N4O — CID 101107633

IUPACN-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine
SMILESCNc1noc(-c2c(F)c(F)c(NC)c(F)c2F)n1
InChIInChI=1S/C10H8F4N4O/c1-15-8-6(13)4(11)3(5(12)7(8)14)9-17-10(16-2)18-19-9/h15H,1-2H3,(H,16,18)
InChIKeyUJSKFEKZBKQZEH-UHFFFAOYSA-N
MW276.19 g/mol
LogP2.38
Rot. Bonds3

About N-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine

N-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine (PubChem CID 101107633) has the molecular formula C10H8F4N4O and a molecular weight of 276.19 g/mol. Its IUPAC name is N-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine
PubChem CID101107633
Molecular FormulaC10H8F4N4O
Molecular Weight276.19 g/mol
Exact Mass276.06
IUPAC NameN-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine
SMILESCNc1noc(-c2c(F)c(F)c(NC)c(F)c2F)n1
InChIInChI=1S/C10H8F4N4O/c1-15-8-6(13)4(11)3(5(12)7(8)14)9-17-10(16-2)18-19-9/h15H,1-2H3,(H,16,18)
InChIKeyUJSKFEKZBKQZEH-UHFFFAOYSA-N
XLogP2.38
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine 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-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine (CID 101107633) is N-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine is CNc1noc(-c2c(F)c(F)c(NC)c(F)c2F)n1.
What is the InChIKey of N-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is UJSKFEKZBKQZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N4O/c1-15-8-6(13)4(11)3(5(12)7(8)14)9-17-10(16-2)18-19-9/h15H,1-2H3,(H,16,18).
What are the key properties of N-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine?
N-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 276.19 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 101107633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).