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

C7H10F3N3O — CID 82008394

IUPACN-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(C)Cc1nc(C(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O/c1-4(11-2)3-5-12-6(13-14-5)7(8,9)10/h4,11H,3H2,1-2H3
InChIKeySCJITDGLRSVYKS-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.24
Rot. Bonds3

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

N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 82008394) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID82008394
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC NameN-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCNC(C)Cc1nc(C(F)(F)F)no1
InChIInChI=1S/C7H10F3N3O/c1-4(11-2)3-5-12-6(13-14-5)7(8,9)10/h4,11H,3H2,1-2H3
InChIKeySCJITDGLRSVYKS-UHFFFAOYSA-N
XLogP1.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 82008394) is N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CNC(C)Cc1nc(C(F)(F)F)no1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is SCJITDGLRSVYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-4(11-2)3-5-12-6(13-14-5)7(8,9)10/h4,11H,3H2,1-2H3.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 209.17 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82008394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).