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

C10H14F3N3O — CID 82007565

IUPACN-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCNC1CCCCC1c1nc(C(F)(F)F)no1
InChIInChI=1S/C10H14F3N3O/c1-14-7-5-3-2-4-6(7)8-15-9(16-17-8)10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyGZFRGJNMRCBHGU-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.33
Rot. Bonds2

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

N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 82007565) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID82007565
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCNC1CCCCC1c1nc(C(F)(F)F)no1
InChIInChI=1S/C10H14F3N3O/c1-14-7-5-3-2-4-6(7)8-15-9(16-17-8)10(11,12)13/h6-7,14H,2-5H2,1H3
InChIKeyGZFRGJNMRCBHGU-UHFFFAOYSA-N
XLogP2.33
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.33
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]cyclohexan-1-amine?
The IUPAC name of N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 82007565) is N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CNC1CCCCC1c1nc(C(F)(F)F)no1.
What is the InChIKey of N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is GZFRGJNMRCBHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-14-7-5-3-2-4-6(7)8-15-9(16-17-8)10(11,12)13/h6-7,14H,2-5H2,1H3.
What are the key properties of N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 249.24 g/mol, XLogP of 2.33, 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]cyclohexan-1-amine is sourced from PubChem (CID 82007565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).