3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one

C22H21N3O3 — CID 118525925

IUPAC3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one
SMILESCc1cc(-c2ncc(-c3ccc4c(c3)N(C3COC3)C(=O)C4(C)C)o2)ccn1
InChIInChI=1S/C22H21N3O3/c1-13-8-15(6-7-23-13)20-24-10-19(28-20)14-4-5-17-18(9-14)25(16-11-27-12-16)21(26)22(17,2)3/h4-10,16H,11-12H2,1-3H3
InChIKeyYOYMOJXKFBYFCU-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.74
Rot. Bonds3

About 3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one

3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one (PubChem CID 118525925) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one
PubChem CID118525925
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one
SMILESCc1cc(-c2ncc(-c3ccc4c(c3)N(C3COC3)C(=O)C4(C)C)o2)ccn1
InChIInChI=1S/C22H21N3O3/c1-13-8-15(6-7-23-13)20-24-10-19(28-20)14-4-5-17-18(9-14)25(16-11-27-12-16)21(26)22(17,2)3/h4-10,16H,11-12H2,1-3H3
InChIKeyYOYMOJXKFBYFCU-UHFFFAOYSA-N
XLogP3.74
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one?
The IUPAC name of 3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one (CID 118525925) is 3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one.
What is the SMILES notation for 3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one?
The canonical SMILES for 3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one is Cc1cc(-c2ncc(-c3ccc4c(c3)N(C3COC3)C(=O)C4(C)C)o2)ccn1.
What is the InChIKey of 3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one?
The InChIKey is YOYMOJXKFBYFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13-8-15(6-7-23-13)20-24-10-19(28-20)14-4-5-17-18(9-14)25(16-11-27-12-16)21(26)22(17,2)3/h4-10,16H,11-12H2,1-3H3.
What are the key properties of 3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one?
3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one has a molecular weight of 375.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one is sourced from PubChem (CID 118525925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).