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

C9H12F3N3O — CID 82007646

IUPACN-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCNC1CCCC1c1nc(C(F)(F)F)no1
InChIInChI=1S/C9H12F3N3O/c1-13-6-4-2-3-5(6)7-14-8(15-16-7)9(10,11)12/h5-6,13H,2-4H2,1H3
InChIKeyQPLWOLOXFGXNIL-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.94
Rot. Bonds2

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

N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 82007646) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID82007646
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCNC1CCCC1c1nc(C(F)(F)F)no1
InChIInChI=1S/C9H12F3N3O/c1-13-6-4-2-3-5(6)7-14-8(15-16-7)9(10,11)12/h5-6,13H,2-4H2,1H3
InChIKeyQPLWOLOXFGXNIL-UHFFFAOYSA-N
XLogP1.94
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 82007646) is N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is CNC1CCCC1c1nc(C(F)(F)F)no1.
What is the InChIKey of N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is QPLWOLOXFGXNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-13-6-4-2-3-5(6)7-14-8(15-16-7)9(10,11)12/h5-6,13H,2-4H2,1H3.
What are the key properties of N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 235.21 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 82007646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).