1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

C15H16N6O3 — CID 46952531

IUPAC1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESNc1nonc1C(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2
InChIInChI=1S/C15H16N6O3/c16-12-11(19-24-20-12)14(23)21-7-5-15(6-8-21)17-10-4-2-1-3-9(10)13(22)18-15/h1-4,17H,5-8H2,(H2,16,20)(H,18,22)
InChIKeyJEZOHFZMRYWWPQ-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.44
Rot. Bonds1

About 1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (PubChem CID 46952531) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
PubChem CID46952531
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Name1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
SMILESNc1nonc1C(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2
InChIInChI=1S/C15H16N6O3/c16-12-11(19-24-20-12)14(23)21-7-5-15(6-8-21)17-10-4-2-1-3-9(10)13(22)18-15/h1-4,17H,5-8H2,(H2,16,20)(H,18,22)
InChIKeyJEZOHFZMRYWWPQ-UHFFFAOYSA-N
XLogP0.44
TPSA126.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one (CID 46952531) is 1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is Nc1nonc1C(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2.
What is the InChIKey of 1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
The InChIKey is JEZOHFZMRYWWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c16-12-11(19-24-20-12)14(23)21-7-5-15(6-8-21)17-10-4-2-1-3-9(10)13(22)18-15/h1-4,17H,5-8H2,(H2,16,20)(H,18,22).
What are the key properties of 1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one?
1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one has a molecular weight of 328.33 g/mol, XLogP of 0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-amino-1,2,5-oxadiazole-3-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one is sourced from PubChem (CID 46952531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).