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

C11H16F3N3O — CID 82007893

IUPACN-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
SMILESCNC1CCCCCC1c1nc(C(F)(F)F)no1
InChIInChI=1S/C11H16F3N3O/c1-15-8-6-4-2-3-5-7(8)9-16-10(17-18-9)11(12,13)14/h7-8,15H,2-6H2,1H3
InChIKeyOKCDJGPLRBMUGQ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.72
Rot. Bonds2

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

N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine (PubChem CID 82007893) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
PubChem CID82007893
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
SMILESCNC1CCCCCC1c1nc(C(F)(F)F)no1
InChIInChI=1S/C11H16F3N3O/c1-15-8-6-4-2-3-5-7(8)9-16-10(17-18-9)11(12,13)14/h7-8,15H,2-6H2,1H3
InChIKeyOKCDJGPLRBMUGQ-UHFFFAOYSA-N
XLogP2.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.72
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]cycloheptan-1-amine?
The IUPAC name of N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine (CID 82007893) is N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine.
What is the SMILES notation for N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The canonical SMILES for N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine is CNC1CCCCCC1c1nc(C(F)(F)F)no1.
What is the InChIKey of N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
The InChIKey is OKCDJGPLRBMUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-15-8-6-4-2-3-5-7(8)9-16-10(17-18-9)11(12,13)14/h7-8,15H,2-6H2,1H3.
What are the key properties of N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine?
N-methyl-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine has a molecular weight of 263.26 g/mol, XLogP of 2.72, 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]cycloheptan-1-amine is sourced from PubChem (CID 82007893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).