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

C14H22F3N3O — CID 104622611

IUPAC2-methyl-N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(C2CCCCC2C(F)(F)F)o1
InChIInChI=1S/C14H22F3N3O/c1-13(2,3)18-8-11-19-20-12(21-11)9-6-4-5-7-10(9)14(15,16)17/h9-10,18H,4-8H2,1-3H3
InChIKeyKXNDUFUPIZSECS-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.79
Rot. Bonds3

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

2-methyl-N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 104622611) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-methyl-N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID104622611
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name2-methyl-N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(C2CCCCC2C(F)(F)F)o1
InChIInChI=1S/C14H22F3N3O/c1-13(2,3)18-8-11-19-20-12(21-11)9-6-4-5-7-10(9)14(15,16)17/h9-10,18H,4-8H2,1-3H3
InChIKeyKXNDUFUPIZSECS-UHFFFAOYSA-N
XLogP3.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-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 2-methyl-N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 104622611) is 2-methyl-N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nnc(C2CCCCC2C(F)(F)F)o1.
What is the InChIKey of 2-methyl-N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is KXNDUFUPIZSECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-13(2,3)18-8-11-19-20-12(21-11)9-6-4-5-7-10(9)14(15,16)17/h9-10,18H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 305.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 104622611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).