cyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine

C15H18FN3O — CID 64759558

IUPACcyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(C)(c1ccc(F)cc1)c1noc(C(N)C2CC2)n1
InChIInChI=1S/C15H18FN3O/c1-15(2,10-5-7-11(16)8-6-10)14-18-13(20-19-14)12(17)9-3-4-9/h5-9,12H,3-4,17H2,1-2H3
InChIKeyHJRMYBUINVLUDI-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.94
Rot. Bonds4

About cyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine

cyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 64759558) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is cyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID64759558
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Namecyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(C)(c1ccc(F)cc1)c1noc(C(N)C2CC2)n1
InChIInChI=1S/C15H18FN3O/c1-15(2,10-5-7-11(16)8-6-10)14-18-13(20-19-14)12(17)9-3-4-9/h5-9,12H,3-4,17H2,1-2H3
InChIKeyHJRMYBUINVLUDI-UHFFFAOYSA-N
XLogP2.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{[3-(2-fluorobenzyl)-1,2,4-oxadiazol-5-yl]methyl}-L-prolinamide
CID 16188967
(1S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylcyclopropan-1-amine
CID 58035515
3-(4-fluorophenyl)-2,2-dimethyl-N-[[5-(methylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropane-1-carboxamide
CID 145969002
US11433053, Example 154
CID 146994117
US11433053, Example 146
CID 148654551
US11433053, Example 219
CID 149216189
US11433053, Example 163
CID 149424330
2-[3-(3-Fluorobenzyl)-1,2,4-oxadiazol-5-yl]-1-methylpiperidine
CID 45179495
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-fluorophenyl)cyclobutan-1-amine
CID 53584890
2-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-N-propylacetamide
CID 53598728
N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide
CID 56790801
2-(4-fluorophenyl)-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 72009152

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of cyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine (CID 64759558) is cyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for cyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for cyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine is CC(C)(c1ccc(F)cc1)c1noc(C(N)C2CC2)n1.
What is the InChIKey of cyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is HJRMYBUINVLUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-15(2,10-5-7-11(16)8-6-10)14-18-13(20-19-14)12(17)9-3-4-9/h5-9,12H,3-4,17H2,1-2H3.
What are the key properties of cyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine?
cyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 275.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 64759558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).