(2R,5'R)-5'-methyl-4-pyridazin-4-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine

C16H16N4O — CID 58467222

IUPAC(2R,5'R)-5'-methyl-4-pyridazin-4-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESC[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3ccnnc3)c1C2
InChIInChI=1S/C16H16N4O/c1-10-16(20-15(17)21-10)7-11-3-2-4-13(14(11)8-16)12-5-6-18-19-9-12/h2-6,9-10H,7-8H2,1H3,(H2,17,20)/t10-,16-/m1/s1
InChIKeyXUYBETNIZYVQAJ-QLJPJBMISA-N
MW280.33 g/mol
LogP1.71
Rot. Bonds1

About (2R,5'R)-5'-methyl-4-pyridazin-4-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine

(2R,5'R)-5'-methyl-4-pyridazin-4-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (PubChem CID 58467222) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is (2R,5'R)-5'-methyl-4-pyridazin-4-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.

Molecular Properties

Compound Name(2R,5'R)-5'-methyl-4-pyridazin-4-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
PubChem CID58467222
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name(2R,5'R)-5'-methyl-4-pyridazin-4-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine
SMILESC[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3ccnnc3)c1C2
InChIInChI=1S/C16H16N4O/c1-10-16(20-15(17)21-10)7-11-3-2-4-13(14(11)8-16)12-5-6-18-19-9-12/h2-6,9-10H,7-8H2,1H3,(H2,17,20)/t10-,16-/m1/s1
InChIKeyXUYBETNIZYVQAJ-QLJPJBMISA-N
XLogP1.71
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,5'R)-5'-methyl-4-pyridazin-4-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The IUPAC name of (2R,5'R)-5'-methyl-4-pyridazin-4-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine (CID 58467222) is (2R,5'R)-5'-methyl-4-pyridazin-4-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine.
What is the SMILES notation for (2R,5'R)-5'-methyl-4-pyridazin-4-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The canonical SMILES for (2R,5'R)-5'-methyl-4-pyridazin-4-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is C[C@H]1OC(N)=N[C@@]12Cc1cccc(-c3ccnnc3)c1C2.
What is the InChIKey of (2R,5'R)-5'-methyl-4-pyridazin-4-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
The InChIKey is XUYBETNIZYVQAJ-QLJPJBMISA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-16(20-15(17)21-10)7-11-3-2-4-13(14(11)8-16)12-5-6-18-19-9-12/h2-6,9-10H,7-8H2,1H3,(H2,17,20)/t10-,16-/m1/s1.
What are the key properties of (2R,5'R)-5'-methyl-4-pyridazin-4-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine?
(2R,5'R)-5'-methyl-4-pyridazin-4-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine has a molecular weight of 280.33 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5'R)-5'-methyl-4-pyridazin-4-ylspiro[1,3-dihydroindene-2,4'-5H-1,3-oxazole]-2'-amine is sourced from PubChem (CID 58467222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).