2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine

C6H9F2N3O — CID 62162372

IUPAC2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nnc(C(F)F)o1
InChIInChI=1S/C6H9F2N3O/c1-9-3-2-4-10-11-6(12-4)5(7)8/h5,9H,2-3H2,1H3
InChIKeySOPUIFVKPVPLKN-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.77
Rot. Bonds4

About 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine

2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (PubChem CID 62162372) has the molecular formula C6H9F2N3O and a molecular weight of 177.15 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
PubChem CID62162372
Molecular FormulaC6H9F2N3O
Molecular Weight177.15 g/mol
Exact Mass177.07
IUPAC Name2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nnc(C(F)F)o1
InChIInChI=1S/C6H9F2N3O/c1-9-3-2-4-10-11-6(12-4)5(7)8/h5,9H,2-3H2,1H3
InChIKeySOPUIFVKPVPLKN-UHFFFAOYSA-N
XLogP0.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine (CID 62162372) is 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is CNCCc1nnc(C(F)F)o1.
What is the InChIKey of 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
The InChIKey is SOPUIFVKPVPLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O/c1-9-3-2-4-10-11-6(12-4)5(7)8/h5,9H,2-3H2,1H3.
What are the key properties of 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine?
2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine has a molecular weight of 177.15 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 62162372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).