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

C13H20F3N3O — CID 104622623

IUPACN-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(NC)c1nnc(C2CCCCC2C(F)(F)F)o1
InChIInChI=1S/C13H20F3N3O/c1-3-10(17-2)12-19-18-11(20-12)8-6-4-5-7-9(8)13(14,15)16/h8-10,17H,3-7H2,1-2H3
InChIKeyUUECXNILXSFGPB-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.58
Rot. Bonds4

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

N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 104622623) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID104622623
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(NC)c1nnc(C2CCCCC2C(F)(F)F)o1
InChIInChI=1S/C13H20F3N3O/c1-3-10(17-2)12-19-18-11(20-12)8-6-4-5-7-9(8)13(14,15)16/h8-10,17H,3-7H2,1-2H3
InChIKeyUUECXNILXSFGPB-UHFFFAOYSA-N
XLogP3.58
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 104622623) is N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine is CCC(NC)c1nnc(C2CCCCC2C(F)(F)F)o1.
What is the InChIKey of N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is UUECXNILXSFGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-3-10(17-2)12-19-18-11(20-12)8-6-4-5-7-9(8)13(14,15)16/h8-10,17H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 291.32 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[2-(trifluoromethyl)cyclohexyl]-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 104622623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).