5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one

C20H19N3O2 — CID 118727348

IUPAC5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
SMILESCc1ccc(-c2cc(-c3ccc4c(c3)CN(C(C)C)C4=O)on2)cn1
InChIInChI=1S/C20H19N3O2/c1-12(2)23-11-16-8-14(6-7-17(16)20(23)24)19-9-18(22-25-19)15-5-4-13(3)21-10-15/h4-10,12H,11H2,1-3H3
InChIKeyINCDLFNQIMATBG-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.08
Rot. Bonds3

About 5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one

5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one (PubChem CID 118727348) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
PubChem CID118727348
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
SMILESCc1ccc(-c2cc(-c3ccc4c(c3)CN(C(C)C)C4=O)on2)cn1
InChIInChI=1S/C20H19N3O2/c1-12(2)23-11-16-8-14(6-7-17(16)20(23)24)19-9-18(22-25-19)15-5-4-13(3)21-10-15/h4-10,12H,11H2,1-3H3
InChIKeyINCDLFNQIMATBG-UHFFFAOYSA-N
XLogP4.08
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The IUPAC name of 5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one (CID 118727348) is 5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The canonical SMILES for 5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one is Cc1ccc(-c2cc(-c3ccc4c(c3)CN(C(C)C)C4=O)on2)cn1.
What is the InChIKey of 5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The InChIKey is INCDLFNQIMATBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12(2)23-11-16-8-14(6-7-17(16)20(23)24)19-9-18(22-25-19)15-5-4-13(3)21-10-15/h4-10,12H,11H2,1-3H3.
What are the key properties of 5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one has a molecular weight of 333.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 118727348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).