[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine

C10H11F2N3O — CID 139473721

IUPAC[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESNCc1ccc(C2=NC(C(F)F)ON2)cc1
InChIInChI=1S/C10H11F2N3O/c11-8(12)10-14-9(15-16-10)7-3-1-6(5-13)2-4-7/h1-4,8,10H,5,13H2,(H,14,15)
InChIKeyZOKCSSHGSZYGPW-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.02
Rot. Bonds3

About [4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine

[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine (PubChem CID 139473721) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is [4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine
PubChem CID139473721
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC Name[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESNCc1ccc(C2=NC(C(F)F)ON2)cc1
InChIInChI=1S/C10H11F2N3O/c11-8(12)10-14-9(15-16-10)7-3-1-6(5-13)2-4-7/h1-4,8,10H,5,13H2,(H,14,15)
InChIKeyZOKCSSHGSZYGPW-UHFFFAOYSA-N
XLogP1.02
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine 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 [4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine (CID 139473721) is [4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine is NCc1ccc(C2=NC(C(F)F)ON2)cc1.
What is the InChIKey of [4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The InChIKey is ZOKCSSHGSZYGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O/c11-8(12)10-14-9(15-16-10)7-3-1-6(5-13)2-4-7/h1-4,8,10H,5,13H2,(H,14,15).
What are the key properties of [4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
[4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine has a molecular weight of 227.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(difluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methanamine is sourced from PubChem (CID 139473721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).