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

C13H15N3O — CID 63079286

IUPAC[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(C2(c3ccccc3)CCC2)no1
InChIInChI=1S/C13H15N3O/c14-9-11-15-12(16-17-11)13(7-4-8-13)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2
InChIKeyXPLNVSQVGFMIMB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.00
Rot. Bonds3

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

[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 63079286) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID63079286
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(C2(c3ccccc3)CCC2)no1
InChIInChI=1S/C13H15N3O/c14-9-11-15-12(16-17-11)13(7-4-8-13)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2
InChIKeyXPLNVSQVGFMIMB-UHFFFAOYSA-N
XLogP2.00
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 63079286) is [3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(C2(c3ccccc3)CCC2)no1.
What is the InChIKey of [3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is XPLNVSQVGFMIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-9-11-15-12(16-17-11)13(7-4-8-13)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,14H2.
What are the key properties of [3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 229.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 63079286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).