N-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine

C17H20F3N3O2 — CID 155468038

IUPACN-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine
SMILESCONC(C)(C)C1CCCc2cc(-c3noc(C(F)(F)F)n3)ccc21
InChIInChI=1S/C17H20F3N3O2/c1-16(2,23-24-3)13-6-4-5-10-9-11(7-8-12(10)13)14-21-15(25-22-14)17(18,19)20/h7-9,13,23H,4-6H2,1-3H3
InChIKeyFYLRDUPPXBDANG-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.10
Rot. Bonds4

About N-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine

N-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine (PubChem CID 155468038) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine.

Molecular Properties

Compound NameN-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine
PubChem CID155468038
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine
SMILESCONC(C)(C)C1CCCc2cc(-c3noc(C(F)(F)F)n3)ccc21
InChIInChI=1S/C17H20F3N3O2/c1-16(2,23-24-3)13-6-4-5-10-9-11(7-8-12(10)13)14-21-15(25-22-14)17(18,19)20/h7-9,13,23H,4-6H2,1-3H3
InChIKeyFYLRDUPPXBDANG-UHFFFAOYSA-N
XLogP4.10
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine?
The IUPAC name of N-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine (CID 155468038) is N-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine.
What is the SMILES notation for N-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine?
The canonical SMILES for N-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine is CONC(C)(C)C1CCCc2cc(-c3noc(C(F)(F)F)n3)ccc21.
What is the InChIKey of N-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine?
The InChIKey is FYLRDUPPXBDANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-16(2,23-24-3)13-6-4-5-10-9-11(7-8-12(10)13)14-21-15(25-22-14)17(18,19)20/h7-9,13,23H,4-6H2,1-3H3.
What are the key properties of N-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine?
N-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine has a molecular weight of 355.36 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine is sourced from PubChem (CID 155468038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).