N-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole

C18H24F3N3O2 — CID 159023688

IUPACN-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCONC(C)(C)C.FC(F)(F)c1nc(-c2ccc3c(c2)CCCC3)no1
InChIInChI=1S/C13H11F3N2O.C5H13NO/c14-13(15,16)12-17-11(18-19-12)10-6-5-8-3-1-2-4-9(8)7-10;1-5(2,3)6-7-4/h5-7H,1-4H2;6H,1-4H3
InChIKeyJUAGUVUZFIRZKI-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.57
Rot. Bonds2

About N-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole

N-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 159023688) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound NameN-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID159023688
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC NameN-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESCONC(C)(C)C.FC(F)(F)c1nc(-c2ccc3c(c2)CCCC3)no1
InChIInChI=1S/C13H11F3N2O.C5H13NO/c14-13(15,16)12-17-11(18-19-12)10-6-5-8-3-1-2-4-9(8)7-10;1-5(2,3)6-7-4/h5-7H,1-4H2;6H,1-4H3
InChIKeyJUAGUVUZFIRZKI-UHFFFAOYSA-N
XLogP4.57
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.57
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-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of N-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 159023688) is N-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for N-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for N-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole is CONC(C)(C)C.FC(F)(F)c1nc(-c2ccc3c(c2)CCCC3)no1.
What is the InChIKey of N-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is JUAGUVUZFIRZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O.C5H13NO/c14-13(15,16)12-17-11(18-19-12)10-6-5-8-3-1-2-4-9(8)7-10;1-5(2,3)6-7-4/h5-7H,1-4H2;6H,1-4H3.
What are the key properties of N-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
N-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 371.40 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 159023688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).