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

C10H16F4N4O — CID 106296576

IUPAC5-[(2-methylpropylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(NCC(F)(F)C(F)F)o1
InChIInChI=1S/C10H16F4N4O/c1-6(2)3-15-4-7-17-18-9(19-7)16-5-10(13,14)8(11)12/h6,8,15H,3-5H2,1-2H3,(H,16,18)
InChIKeyGUCNOZMMQRAFCO-UHFFFAOYSA-N
MW284.26 g/mol
LogP2.13
Rot. Bonds8

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

5-[(2-methylpropylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106296576) has the molecular formula C10H16F4N4O and a molecular weight of 284.26 g/mol. Its IUPAC name is 5-[(2-methylpropylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methylpropylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106296576
Molecular FormulaC10H16F4N4O
Molecular Weight284.26 g/mol
Exact Mass284.13
IUPAC Name5-[(2-methylpropylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)CNCc1nnc(NCC(F)(F)C(F)F)o1
InChIInChI=1S/C10H16F4N4O/c1-6(2)3-15-4-7-17-18-9(19-7)16-5-10(13,14)8(11)12/h6,8,15H,3-5H2,1-2H3,(H,16,18)
InChIKeyGUCNOZMMQRAFCO-UHFFFAOYSA-N
XLogP2.13
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-methylpropylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine (CID 106296576) is 5-[(2-methylpropylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-methylpropylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-methylpropylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine is CC(C)CNCc1nnc(NCC(F)(F)C(F)F)o1.
What is the InChIKey of 5-[(2-methylpropylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GUCNOZMMQRAFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N4O/c1-6(2)3-15-4-7-17-18-9(19-7)16-5-10(13,14)8(11)12/h6,8,15H,3-5H2,1-2H3,(H,16,18).
What are the key properties of 5-[(2-methylpropylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine?
5-[(2-methylpropylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 284.26 g/mol, XLogP of 2.13, 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-(2,2,3,3-tetrafluoropropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106296576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).