1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine

C12H16F3N3O — CID 64758649

IUPAC1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(c2noc(C3CC3)n2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)8-2-1-5-11(16,6-8)10-17-9(19-18-10)7-3-4-7/h7-8H,1-6,16H2
InChIKeyVCEHOLLLIMICBP-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.85
Rot. Bonds2

About 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine

1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758649) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758649
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(c2noc(C3CC3)n2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)8-2-1-5-11(16,6-8)10-17-9(19-18-10)7-3-4-7/h7-8H,1-6,16H2
InChIKeyVCEHOLLLIMICBP-UHFFFAOYSA-N
XLogP2.85
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64758649) is 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine is NC1(c2noc(C3CC3)n2)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is VCEHOLLLIMICBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)8-2-1-5-11(16,6-8)10-17-9(19-18-10)7-3-4-7/h7-8H,1-6,16H2.
What are the key properties of 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 275.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).