3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one

C40H36N6O5 — CID 118525893

IUPAC3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(-c3cnc(-c4cccnc4)o3)ccc21.Cc1ccc(-c2ncc(-c3ccc4c(c3)N(C3COC3)C(=O)C4(C)C)o2)cn1
InChIInChI=1S/C22H21N3O3.C18H15N3O2/c1-13-4-5-15(9-23-13)20-24-10-19(28-20)14-6-7-17-18(8-14)25(16-11-27-12-16)21(26)22(17,2)3;1-18(2)13-6-5-11(8-14(13)21-17(18)22)15-10-20-16(23-15)12-4-3-7-19-9-12/h4-10,16H,11-12H2,1-3H3;3-10H,1-2H3,(H,21,22)
InChIKeyIRJVQWAXYAURRF-UHFFFAOYSA-N
MW680.77 g/mol
LogP7.37
Rot. Bonds5

About 3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one

3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one (PubChem CID 118525893) has the molecular formula C40H36N6O5 and a molecular weight of 680.77 g/mol. Its IUPAC name is 3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one
PubChem CID118525893
Molecular FormulaC40H36N6O5
Molecular Weight680.77 g/mol
Exact Mass680.27
IUPAC Name3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2cc(-c3cnc(-c4cccnc4)o3)ccc21.Cc1ccc(-c2ncc(-c3ccc4c(c3)N(C3COC3)C(=O)C4(C)C)o2)cn1
InChIInChI=1S/C22H21N3O3.C18H15N3O2/c1-13-4-5-15(9-23-13)20-24-10-19(28-20)14-6-7-17-18(8-14)25(16-11-27-12-16)21(26)22(17,2)3;1-18(2)13-6-5-11(8-14(13)21-17(18)22)15-10-20-16(23-15)12-4-3-7-19-9-12/h4-10,16H,11-12H2,1-3H3;3-10H,1-2H3,(H,21,22)
InChIKeyIRJVQWAXYAURRF-UHFFFAOYSA-N
XLogP7.37
TPSA136.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.77
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one (CID 118525893) is 3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one is CC1(C)C(=O)Nc2cc(-c3cnc(-c4cccnc4)o3)ccc21.Cc1ccc(-c2ncc(-c3ccc4c(c3)N(C3COC3)C(=O)C4(C)C)o2)cn1.
What is the InChIKey of 3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one?
The InChIKey is IRJVQWAXYAURRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3.C18H15N3O2/c1-13-4-5-15(9-23-13)20-24-10-19(28-20)14-6-7-17-18(8-14)25(16-11-27-12-16)21(26)22(17,2)3;1-18(2)13-6-5-11(8-14(13)21-17(18)22)15-10-20-16(23-15)12-4-3-7-19-9-12/h4-10,16H,11-12H2,1-3H3;3-10H,1-2H3,(H,21,22).
What are the key properties of 3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one?
3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one has a molecular weight of 680.77 g/mol, XLogP of 7.37, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one is sourced from PubChem (CID 118525893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).