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

C13H14FN3O2 — CID 112608114

IUPAC[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine
SMILESNCc1cccc(F)c1OCc1noc(C2CC2)n1
InChIInChI=1S/C13H14FN3O2/c14-10-3-1-2-9(6-15)12(10)18-7-11-16-13(19-17-11)8-4-5-8/h1-3,8H,4-7,15H2
InChIKeyWKNLXCOQWMGJBM-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.12
Rot. Bonds5

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

[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine (PubChem CID 112608114) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine
PubChem CID112608114
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine
SMILESNCc1cccc(F)c1OCc1noc(C2CC2)n1
InChIInChI=1S/C13H14FN3O2/c14-10-3-1-2-9(6-15)12(10)18-7-11-16-13(19-17-11)8-4-5-8/h1-3,8H,4-7,15H2
InChIKeyWKNLXCOQWMGJBM-UHFFFAOYSA-N
XLogP2.12
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine?
The IUPAC name of [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine (CID 112608114) is [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine?
The canonical SMILES for [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine is NCc1cccc(F)c1OCc1noc(C2CC2)n1.
What is the InChIKey of [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine?
The InChIKey is WKNLXCOQWMGJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-10-3-1-2-9(6-15)12(10)18-7-11-16-13(19-17-11)8-4-5-8/h1-3,8H,4-7,15H2.
What are the key properties of [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine?
[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine has a molecular weight of 263.27 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine is sourced from PubChem (CID 112608114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).