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

C7H11F2N3O — CID 62139454

IUPAC3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nnc(C(F)F)o1
InChIInChI=1S/C7H11F2N3O/c1-10-4-2-3-5-11-12-7(13-5)6(8)9/h6,10H,2-4H2,1H3
InChIKeyASGKHMLWIQLYFJ-UHFFFAOYSA-N
MW191.18 g/mol
LogP1.16
Rot. Bonds5

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

3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (PubChem CID 62139454) has the molecular formula C7H11F2N3O and a molecular weight of 191.18 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
PubChem CID62139454
Molecular FormulaC7H11F2N3O
Molecular Weight191.18 g/mol
Exact Mass191.09
IUPAC Name3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nnc(C(F)F)o1
InChIInChI=1S/C7H11F2N3O/c1-10-4-2-3-5-11-12-7(13-5)6(8)9/h6,10H,2-4H2,1H3
InChIKeyASGKHMLWIQLYFJ-UHFFFAOYSA-N
XLogP1.16
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 51.16
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-methylpropan-1-amine?
The IUPAC name of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (CID 62139454) is 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is CNCCCc1nnc(C(F)F)o1.
What is the InChIKey of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is ASGKHMLWIQLYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O/c1-10-4-2-3-5-11-12-7(13-5)6(8)9/h6,10H,2-4H2,1H3.
What are the key properties of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 191.18 g/mol, XLogP of 1.16, 5 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-methylpropan-1-amine is sourced from PubChem (CID 62139454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).