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

C14H17FN4O — CID 120750917

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine
SMILESNCc1nc(CN(Cc2cccc(F)c2)C2CC2)no1
InChIInChI=1S/C14H17FN4O/c15-11-3-1-2-10(6-11)8-19(12-4-5-12)9-13-17-14(7-16)20-18-13/h1-3,6,12H,4-5,7-9,16H2
InChIKeySHXIYBGQGDOWFN-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.83
Rot. Bonds6

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

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine (PubChem CID 120750917) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine
PubChem CID120750917
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine
SMILESNCc1nc(CN(Cc2cccc(F)c2)C2CC2)no1
InChIInChI=1S/C14H17FN4O/c15-11-3-1-2-10(6-11)8-19(12-4-5-12)9-13-17-14(7-16)20-18-13/h1-3,6,12H,4-5,7-9,16H2
InChIKeySHXIYBGQGDOWFN-UHFFFAOYSA-N
XLogP1.83
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-ethylphenyl)methyl]cyclopropanamine;hydrochloride
CID 120750920
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine
CID 120752346
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(5-bromo-2-fluorophenyl)methyl]cyclopropanamine
CID 120750907
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(1,3-benzodioxol-5-ylmethyl)cyclohexanamine
CID 120751745
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine
CID 120751755
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride
CID 120751754
N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
CID 43137498
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-ethyl-3-fluoroaniline;hydrochloride
CID 120751290
[4-[[cyclopropyl-[(3-fluorophenyl)methyl]amino]methyl]phenyl]methanol
CID 110008215
N-[(3-fluorophenyl)methyl]-N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 55828151
N-(2-bromoethyl)-N-[(3-fluorophenyl)methyl]cyclobutanamine
CID 102860788
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(cyclopropylmethyl)cyclohexanamine;hydrochloride
CID 120751690

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine (CID 120750917) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine is NCc1nc(CN(Cc2cccc(F)c2)C2CC2)no1.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine?
The InChIKey is SHXIYBGQGDOWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c15-11-3-1-2-10(6-11)8-19(12-4-5-12)9-13-17-14(7-16)20-18-13/h1-3,6,12H,4-5,7-9,16H2.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine has a molecular weight of 276.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluorophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 120750917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).