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

C10H17F3N4O2 — CID 106961579

IUPAC5-[(propan-2-ylamino)methyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(NCCOCC(F)(F)F)o1
InChIInChI=1S/C10H17F3N4O2/c1-7(2)15-5-8-16-17-9(19-8)14-3-4-18-6-10(11,12)13/h7,15H,3-6H2,1-2H3,(H,14,17)
InChIKeyMJVBLMDQRCKDGK-UHFFFAOYSA-N
MW282.27 g/mol
LogP1.56
Rot. Bonds8

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

5-[(propan-2-ylamino)methyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106961579) has the molecular formula C10H17F3N4O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-[(propan-2-ylamino)methyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(propan-2-ylamino)methyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106961579
Molecular FormulaC10H17F3N4O2
Molecular Weight282.27 g/mol
Exact Mass282.13
IUPAC Name5-[(propan-2-ylamino)methyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)NCc1nnc(NCCOCC(F)(F)F)o1
InChIInChI=1S/C10H17F3N4O2/c1-7(2)15-5-8-16-17-9(19-8)14-3-4-18-6-10(11,12)13/h7,15H,3-6H2,1-2H3,(H,14,17)
InChIKeyMJVBLMDQRCKDGK-UHFFFAOYSA-N
XLogP1.56
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(propan-2-ylamino)methyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine (CID 106961579) is 5-[(propan-2-ylamino)methyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(propan-2-ylamino)methyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(propan-2-ylamino)methyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine is CC(C)NCc1nnc(NCCOCC(F)(F)F)o1.
What is the InChIKey of 5-[(propan-2-ylamino)methyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is MJVBLMDQRCKDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O2/c1-7(2)15-5-8-16-17-9(19-8)14-3-4-18-6-10(11,12)13/h7,15H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 5-[(propan-2-ylamino)methyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine?
5-[(propan-2-ylamino)methyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 282.27 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(propan-2-ylamino)methyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).