1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C15H20N4O2 — CID 104637415

IUPAC1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1ccc(-c2nc(C(C)(N)COC3CCC3)no2)cn1
InChIInChI=1S/C15H20N4O2/c1-10-6-7-11(8-17-10)13-18-14(19-21-13)15(2,16)9-20-12-4-3-5-12/h6-8,12H,3-5,9,16H2,1-2H3
InChIKeyASRXFMSWLKLUIR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.18
Rot. Bonds5

About 1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 104637415) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID104637415
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCc1ccc(-c2nc(C(C)(N)COC3CCC3)no2)cn1
InChIInChI=1S/C15H20N4O2/c1-10-6-7-11(8-17-10)13-18-14(19-21-13)15(2,16)9-20-12-4-3-5-12/h6-8,12H,3-5,9,16H2,1-2H3
InChIKeyASRXFMSWLKLUIR-UHFFFAOYSA-N
XLogP2.18
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 104637415) is 1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is Cc1ccc(-c2nc(C(C)(N)COC3CCC3)no2)cn1.
What is the InChIKey of 1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is ASRXFMSWLKLUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-6-7-11(8-17-10)13-18-14(19-21-13)15(2,16)9-20-12-4-3-5-12/h6-8,12H,3-5,9,16H2,1-2H3.
What are the key properties of 1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 288.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyloxy-2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 104637415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).