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

C11H16F3N3O — CID 102609727

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCCc2ncno2)C1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)8-2-1-3-9(6-8)15-5-4-10-16-7-17-18-10/h7-9,15H,1-6H2
InChIKeyOYXVPTVWMYLZCN-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.32
Rot. Bonds4

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

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 102609727) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID102609727
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCCc2ncno2)C1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)8-2-1-3-9(6-8)15-5-4-10-16-7-17-18-10/h7-9,15H,1-6H2
InChIKeyOYXVPTVWMYLZCN-UHFFFAOYSA-N
XLogP2.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 102609727) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCC(NCCc2ncno2)C1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is OYXVPTVWMYLZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)8-2-1-3-9(6-8)15-5-4-10-16-7-17-18-10/h7-9,15H,1-6H2.
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 263.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 102609727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).