N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine

C15H16F3N3O — CID 51086803

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
SMILESCc1nnc(CN(Cc2ccccc2C(F)(F)F)C2CC2)o1
InChIInChI=1S/C15H16F3N3O/c1-10-19-20-14(22-10)9-21(12-6-7-12)8-11-4-2-3-5-13(11)15(16,17)18/h2-5,12H,6-9H2,1H3
InChIKeyWDSQCJZMPIQHPZ-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.56
Rot. Bonds5

About N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine (PubChem CID 51086803) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
PubChem CID51086803
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
SMILESCc1nnc(CN(Cc2ccccc2C(F)(F)F)C2CC2)o1
InChIInChI=1S/C15H16F3N3O/c1-10-19-20-14(22-10)9-21(12-6-7-12)8-11-4-2-3-5-13(11)15(16,17)18/h2-5,12H,6-9H2,1H3
InChIKeyWDSQCJZMPIQHPZ-UHFFFAOYSA-N
XLogP3.56
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine (CID 51086803) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine is Cc1nnc(CN(Cc2ccccc2C(F)(F)F)C2CC2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is WDSQCJZMPIQHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-10-19-20-14(22-10)9-21(12-6-7-12)8-11-4-2-3-5-13(11)15(16,17)18/h2-5,12H,6-9H2,1H3.
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 311.31 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 51086803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).