3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine

C9H15F2N3O — CID 62138942

IUPAC3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1nnc(C(F)F)o1
InChIInChI=1S/C9H15F2N3O/c1-6(2)12-5-3-4-7-13-14-9(15-7)8(10)11/h6,8,12H,3-5H2,1-2H3
InChIKeyOWXCAJNLYAXSGN-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.94
Rot. Bonds6

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

3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 62138942) has the molecular formula C9H15F2N3O and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
PubChem CID62138942
Molecular FormulaC9H15F2N3O
Molecular Weight219.24 g/mol
Exact Mass219.12
IUPAC Name3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCc1nnc(C(F)F)o1
InChIInChI=1S/C9H15F2N3O/c1-6(2)12-5-3-4-7-13-14-9(15-7)8(10)11/h6,8,12H,3-5H2,1-2H3
InChIKeyOWXCAJNLYAXSGN-UHFFFAOYSA-N
XLogP1.94
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.94
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 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine (CID 62138942) is 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine is CC(C)NCCCc1nnc(C(F)F)o1.
What is the InChIKey of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is OWXCAJNLYAXSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O/c1-6(2)12-5-3-4-7-13-14-9(15-7)8(10)11/h6,8,12H,3-5H2,1-2H3.
What are the key properties of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine?
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 219.24 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62138942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).