7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine

C24H24N4O3 — CID 58466307

IUPAC7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESCC(C)(C)COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cccnc3)ncc1O2
InChIInChI=1S/C24H24N4O3/c1-23(2,3)13-29-16-6-7-20-17(9-16)24(14-30-22(25)28-24)18-10-19(27-12-21(18)31-20)15-5-4-8-26-11-15/h4-12H,13-14H2,1-3H3,(H2,25,28)
InChIKeyNAULNSZNZAIJMF-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.26
Rot. Bonds3

About 7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine

7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (PubChem CID 58466307) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine.

Molecular Properties

Compound Name7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
PubChem CID58466307
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
SMILESCC(C)(C)COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cccnc3)ncc1O2
InChIInChI=1S/C24H24N4O3/c1-23(2,3)13-29-16-6-7-20-17(9-16)24(14-30-22(25)28-24)18-10-19(27-12-21(18)31-20)15-5-4-8-26-11-15/h4-12H,13-14H2,1-3H3,(H2,25,28)
InChIKeyNAULNSZNZAIJMF-UHFFFAOYSA-N
XLogP4.26
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The IUPAC name of 7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine (CID 58466307) is 7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine.
What is the SMILES notation for 7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The canonical SMILES for 7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is CC(C)(C)COc1ccc2c(c1)C1(COC(N)=N1)c1cc(-c3cccnc3)ncc1O2.
What is the InChIKey of 7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
The InChIKey is NAULNSZNZAIJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-23(2,3)13-29-16-6-7-20-17(9-16)24(14-30-22(25)28-24)18-10-19(27-12-21(18)31-20)15-5-4-8-26-11-15/h4-12H,13-14H2,1-3H3,(H2,25,28).
What are the key properties of 7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine?
7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine has a molecular weight of 416.48 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(2,2-dimethylpropoxy)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine is sourced from PubChem (CID 58466307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).