2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine

C15H9ClFN7O2 — CID 66802557

IUPAC2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cccc(Cl)c2F)nc(-c2noc(-c3ccco3)n2)n1
InChIInChI=1S/C15H9ClFN7O2/c16-7-3-1-4-8(10(7)17)19-15-22-11(21-14(18)23-15)12-20-13(26-24-12)9-5-2-6-25-9/h1-6H,(H3,18,19,21,22,23)
InChIKeyIEAINYUOBDOSDZ-UHFFFAOYSA-N
MW373.74 g/mol
LogP3.30
Rot. Bonds4

About 2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine

2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 66802557) has the molecular formula C15H9ClFN7O2 and a molecular weight of 373.74 g/mol. Its IUPAC name is 2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
PubChem CID66802557
Molecular FormulaC15H9ClFN7O2
Molecular Weight373.74 g/mol
Exact Mass373.05
IUPAC Name2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2cccc(Cl)c2F)nc(-c2noc(-c3ccco3)n2)n1
InChIInChI=1S/C15H9ClFN7O2/c16-7-3-1-4-8(10(7)17)19-15-22-11(21-14(18)23-15)12-20-13(26-24-12)9-5-2-6-25-9/h1-6H,(H3,18,19,21,22,23)
InChIKeyIEAINYUOBDOSDZ-UHFFFAOYSA-N
XLogP3.30
TPSA128.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.74
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine 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-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine (CID 66802557) is 2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2cccc(Cl)c2F)nc(-c2noc(-c3ccco3)n2)n1.
What is the InChIKey of 2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is IEAINYUOBDOSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN7O2/c16-7-3-1-4-8(10(7)17)19-15-22-11(21-14(18)23-15)12-20-13(26-24-12)9-5-2-6-25-9/h1-6H,(H3,18,19,21,22,23).
What are the key properties of 2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine?
2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 373.74 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-2-fluorophenyl)-6-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66802557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).