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

C17H20F3N3O — CID 56823877

IUPACN-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)c1nnc(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)o1
InChIInChI=1S/C17H20F3N3O/c1-11(2)16-22-21-15(24-16)10-23(14-7-8-14)9-12-3-5-13(6-4-12)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3
InChIKeyKZGFNPMIHONIBK-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.38
Rot. Bonds6

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

N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropanamine (PubChem CID 56823877) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropanamine
PubChem CID56823877
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC NameN-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)c1nnc(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)o1
InChIInChI=1S/C17H20F3N3O/c1-11(2)16-22-21-15(24-16)10-23(14-7-8-14)9-12-3-5-13(6-4-12)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3
InChIKeyKZGFNPMIHONIBK-UHFFFAOYSA-N
XLogP4.38
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-Methyl-5-[1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 45913521
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 51086803
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenylphenyl)methanamine
CID 51107181
N-methyl-1-(2-phenylphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 52875918
2-[[2-(4-Tert-butylphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 53521616
2-[1-[4-[(4-Fluorophenyl)methyl]-1,4-diazepan-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 53562725
1-(4-fluorophenyl)-N-methyl-1-phenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 53569298
1-cyclobutyl-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 53619487
4-[[4-[1-(5-Methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 56814662
4-[[4-[1-(5-Methyl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 56817343
4-Benzyl-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-ethyl-1,4-diazepan-5-one
CID 56864368
4-Benzyl-3-ethyl-1-[(5-isopropyl-1,3,4-oxadiazol-2-YL)methyl]-1,4-diazepan-5-one
CID 56866765

Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropanamine (CID 56823877) is N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropanamine is CC(C)c1nnc(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)o1.
What is the InChIKey of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is KZGFNPMIHONIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-11(2)16-22-21-15(24-16)10-23(14-7-8-14)9-12-3-5-13(6-4-12)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 339.36 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 56823877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).