N-methyl-1-[5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

C14H17ClF4N4O2 — CID 120868245

About N-methyl-1-[5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride

N-methyl-1-[5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (PubChem CID 120868245) has the molecular formula C14H17ClF4N4O2 and a molecular weight of 384.76 g/mol. Its IUPAC name is N-methyl-1-[5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.

Molecular Properties

• Compound Name: N-methyl-1-[5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
• PubChem CID: 120868245
• Molecular Formula: C14H17ClF4N4O2
• Molecular Weight: 384.76 g/mol
• Exact Mass: 384.10
• IUPAC Name: N-methyl-1-[5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
• SMILES: CNC(C)Cc1noc(-c2ccc(OCC(F)(F)C(F)F)nc2)n1.Cl
• InChI: InChI=1S/C14H16F4N4O2.ClH/c1-8(19-2)5-10-21-12(24-22-10)9-3-4-11(20-6-9)23-7-14(17,18)13(15)16;/h3-4,6,8,13,19H,5,7H2,1-2H3;1H
• InChIKey: CRIREPTVEGUZFS-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 73.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.76
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?

The IUPAC name of N-methyl-1-[5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride (CID 120868245) is N-methyl-1-[5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride.

What is the SMILES notation for N-methyl-1-[5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?

The canonical SMILES for N-methyl-1-[5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is CNC(C)Cc1noc(-c2ccc(OCC(F)(F)C(F)F)nc2)n1.Cl.

What is the InChIKey of N-methyl-1-[5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?

The InChIKey is CRIREPTVEGUZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N4O2.ClH/c1-8(19-2)5-10-21-12(24-22-10)9-3-4-11(20-6-9)23-7-14(17,18)13(15)16;/h3-4,6,8,13,19H,5,7H2,1-2H3;1H.

What are the key properties of N-methyl-1-[5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride?

N-methyl-1-[5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride has a molecular weight of 384.76 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-[5-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride is sourced from PubChem (CID 120868245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).