1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one

C15H22N4O3 — CID 138987399

IUPAC1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one
SMILESCC(=O)N1CC(c2nc(C)no2)C2(C1)CN(C(=O)C(C)C)C2
InChIInChI=1S/C15H22N4O3/c1-9(2)14(21)19-7-15(8-19)6-18(11(4)20)5-12(15)13-16-10(3)17-22-13/h9,12H,5-8H2,1-4H3
InChIKeyVQNKKSBMWFHSSP-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.81
Rot. Bonds2

About 1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one

1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one (PubChem CID 138987399) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one
PubChem CID138987399
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one
SMILESCC(=O)N1CC(c2nc(C)no2)C2(C1)CN(C(=O)C(C)C)C2
InChIInChI=1S/C15H22N4O3/c1-9(2)14(21)19-7-15(8-19)6-18(11(4)20)5-12(15)13-16-10(3)17-22-13/h9,12H,5-8H2,1-4H3
InChIKeyVQNKKSBMWFHSSP-UHFFFAOYSA-N
XLogP0.81
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one (CID 138987399) is 1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one is CC(=O)N1CC(c2nc(C)no2)C2(C1)CN(C(=O)C(C)C)C2.
What is the InChIKey of 1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one?
The InChIKey is VQNKKSBMWFHSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9(2)14(21)19-7-15(8-19)6-18(11(4)20)5-12(15)13-16-10(3)17-22-13/h9,12H,5-8H2,1-4H3.
What are the key properties of 1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one?
1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one has a molecular weight of 306.37 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-acetyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 138987399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).