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

C12H12FN3O — CID 61324851

IUPACcyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(-c2cccc(F)c2)n1)C1CC1
InChIInChI=1S/C12H12FN3O/c13-9-3-1-2-8(6-9)12-15-11(16-17-12)10(14)7-4-5-7/h1-3,6-7,10H,4-5,14H2
InChIKeyXDZDXJVRQZYKDE-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.29
Rot. Bonds3

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

cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 61324851) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID61324851
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Namecyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(-c2cccc(F)c2)n1)C1CC1
InChIInChI=1S/C12H12FN3O/c13-9-3-1-2-8(6-9)12-15-11(16-17-12)10(14)7-4-5-7/h1-3,6-7,10H,4-5,14H2
InChIKeyXDZDXJVRQZYKDE-UHFFFAOYSA-N
XLogP2.29
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 61324851) is cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine is NC(c1noc(-c2cccc(F)c2)n1)C1CC1.
What is the InChIKey of cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is XDZDXJVRQZYKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-9-3-1-2-8(6-9)12-15-11(16-17-12)10(14)7-4-5-7/h1-3,6-7,10H,4-5,14H2.
What are the key properties of cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine?
cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 233.25 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 61324851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).