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

C10H14F3N3O — CID 55202432

IUPACN-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCNC1CCCC1c1nc(CC(F)(F)F)no1
InChIInChI=1S/C10H14F3N3O/c1-14-7-4-2-3-6(7)9-15-8(16-17-9)5-10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyJEWIDVREJBPNLV-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.03
Rot. Bonds3

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

N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (PubChem CID 55202432) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
PubChem CID55202432
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
SMILESCNC1CCCC1c1nc(CC(F)(F)F)no1
InChIInChI=1S/C10H14F3N3O/c1-14-7-4-2-3-6(7)9-15-8(16-17-9)5-10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyJEWIDVREJBPNLV-UHFFFAOYSA-N
XLogP2.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.03
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-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The IUPAC name of N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine (CID 55202432) is N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine.
What is the SMILES notation for N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The canonical SMILES for N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is CNC1CCCC1c1nc(CC(F)(F)F)no1.
What is the InChIKey of N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
The InChIKey is JEWIDVREJBPNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-14-7-4-2-3-6(7)9-15-8(16-17-9)5-10(11,12)13/h6-7,14H,2-5H2,1H3.
What are the key properties of N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine?
N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine has a molecular weight of 249.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine is sourced from PubChem (CID 55202432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).