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

C12H18F3N3O — CID 64756134

IUPAC1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCc1nc(C2(N)CCC(C(F)(F)F)CC2)no1
InChIInChI=1S/C12H18F3N3O/c1-2-3-9-17-10(18-19-9)11(16)6-4-8(5-7-11)12(13,14)15/h8H,2-7,16H2,1H3
InChIKeyYGCCWMSWLUQZPQ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.93
Rot. Bonds3

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

1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64756134) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64756134
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCc1nc(C2(N)CCC(C(F)(F)F)CC2)no1
InChIInChI=1S/C12H18F3N3O/c1-2-3-9-17-10(18-19-9)11(16)6-4-8(5-7-11)12(13,14)15/h8H,2-7,16H2,1H3
InChIKeyYGCCWMSWLUQZPQ-UHFFFAOYSA-N
XLogP2.93
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64756134) is 1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine is CCCc1nc(C2(N)CCC(C(F)(F)F)CC2)no1.
What is the InChIKey of 1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is YGCCWMSWLUQZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-2-3-9-17-10(18-19-9)11(16)6-4-8(5-7-11)12(13,14)15/h8H,2-7,16H2,1H3.
What are the key properties of 1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 277.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64756134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).