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

C7H11F2N3O — CID 62162385

IUPAC2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1nnc(C(F)F)o1
InChIInChI=1S/C7H11F2N3O/c1-2-10-4-3-5-11-12-7(13-5)6(8)9/h6,10H,2-4H2,1H3
InChIKeyOCTVKOSFGTVELO-UHFFFAOYSA-N
MW191.18 g/mol
LogP1.16
Rot. Bonds5

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

2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (PubChem CID 62162385) has the molecular formula C7H11F2N3O and a molecular weight of 191.18 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
PubChem CID62162385
Molecular FormulaC7H11F2N3O
Molecular Weight191.18 g/mol
Exact Mass191.09
IUPAC Name2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
SMILESCCNCCc1nnc(C(F)F)o1
InChIInChI=1S/C7H11F2N3O/c1-2-10-4-3-5-11-12-7(13-5)6(8)9/h6,10H,2-4H2,1H3
InChIKeyOCTVKOSFGTVELO-UHFFFAOYSA-N
XLogP1.16
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The IUPAC name of 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine (CID 62162385) is 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The canonical SMILES for 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine is CCNCCc1nnc(C(F)F)o1.
What is the InChIKey of 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
The InChIKey is OCTVKOSFGTVELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O/c1-2-10-4-3-5-11-12-7(13-5)6(8)9/h6,10H,2-4H2,1H3.
What are the key properties of 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine?
2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine has a molecular weight of 191.18 g/mol, XLogP of 1.16, 5 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-ethylethanamine is sourced from PubChem (CID 62162385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).