5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine

C11H19F3N4O — CID 106963932

IUPAC5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(NCCCC(F)(F)F)o1
InChIInChI=1S/C11H19F3N4O/c1-8(2)6-15-7-9-17-18-10(19-9)16-5-3-4-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,18)
InChIKeyHNRWEYCKYRJTKA-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.57
Rot. Bonds8

About 5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine

5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106963932) has the molecular formula C11H19F3N4O and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine
PubChem CID106963932
Molecular FormulaC11H19F3N4O
Molecular Weight280.29 g/mol
Exact Mass280.15
IUPAC Name5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(NCCCC(F)(F)F)o1
InChIInChI=1S/C11H19F3N4O/c1-8(2)6-15-7-9-17-18-10(19-9)16-5-3-4-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,18)
InChIKeyHNRWEYCKYRJTKA-UHFFFAOYSA-N
XLogP2.57
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-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 5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine (CID 106963932) is 5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine is CC(C)CNCc1nnc(NCCCC(F)(F)F)o1.
What is the InChIKey of 5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is HNRWEYCKYRJTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O/c1-8(2)6-15-7-9-17-18-10(19-9)16-5-3-4-11(12,13)14/h8,15H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine?
5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 280.29 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).