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

C10H17F3N4O — CID 106963922

IUPAC5-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(NCCCC(F)(F)F)o1
InChIInChI=1S/C10H17F3N4O/c1-7(2)15-6-8-16-17-9(18-8)14-5-3-4-10(11,12)13/h7,15H,3-6H2,1-2H3,(H,14,17)
InChIKeyRRNXCDQTHHEWCW-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.32
Rot. Bonds7

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

5-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106963922) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is 5-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine
PubChem CID106963922
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC Name5-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(NCCCC(F)(F)F)o1
InChIInChI=1S/C10H17F3N4O/c1-7(2)15-6-8-16-17-9(18-8)14-5-3-4-10(11,12)13/h7,15H,3-6H2,1-2H3,(H,14,17)
InChIKeyRRNXCDQTHHEWCW-UHFFFAOYSA-N
XLogP2.32
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine (CID 106963922) is 5-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine is CC(C)NCc1nnc(NCCCC(F)(F)F)o1.
What is the InChIKey of 5-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is RRNXCDQTHHEWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-7(2)15-6-8-16-17-9(18-8)14-5-3-4-10(11,12)13/h7,15H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 5-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine?
5-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 266.27 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106963922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).