5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one

C21H21N3O3 — CID 118727341

IUPAC5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
SMILESCOc1ccc(-c2noc(-c3ccc4c(c3)CN(C(C)C)C4=O)c2C)cn1
InChIInChI=1S/C21H21N3O3/c1-12(2)24-11-16-9-14(5-7-17(16)21(24)25)20-13(3)19(23-27-20)15-6-8-18(26-4)22-10-15/h5-10,12H,11H2,1-4H3
InChIKeyMUOLSQDXOHCENO-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.08
Rot. Bonds4

About 5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one

5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one (PubChem CID 118727341) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
PubChem CID118727341
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
SMILESCOc1ccc(-c2noc(-c3ccc4c(c3)CN(C(C)C)C4=O)c2C)cn1
InChIInChI=1S/C21H21N3O3/c1-12(2)24-11-16-9-14(5-7-17(16)21(24)25)20-13(3)19(23-27-20)15-6-8-18(26-4)22-10-15/h5-10,12H,11H2,1-4H3
InChIKeyMUOLSQDXOHCENO-UHFFFAOYSA-N
XLogP4.08
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one with MolForge

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Related Compounds

Odm-207
CID 118224658
6-[3-(2-Fluoro-4-methyl-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-N-isopropyl-nicotinamide
CID 57520477
N-Isopropyl-6-(5-methyl-3-p-tolyl-isoxazol-4-ylmethoxy)-nicotinamide
CID 68443215
6-(5-Methyl-3-p-tolyl-isoxazol-4-ylmethoxy)-N-(tetrahydro-pyran-4-yl)-nicotinamide
CID 68443216
Methyl 5-(diisopropylamino)-3-(3-(3,5-dimethylisoxazol-4-yl)phenyl)-5-oxo-4-(pyridin-3-yl)pentanoate
CID 44418096
7-(3-methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole
CID 60148284
7-(2-methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole
CID 60148285
N-[2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-1-pyridin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 127046570
5-Methyl-3-pyridin-3-yl-6-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 137638393
5-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
CID 118727347
5-[3-(6-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
CID 118727349
N-Isopropyl-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinamide
CID 42628942

Frequently Asked Questions

What is the IUPAC name of 5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The IUPAC name of 5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one (CID 118727341) is 5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The canonical SMILES for 5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one is COc1ccc(-c2noc(-c3ccc4c(c3)CN(C(C)C)C4=O)c2C)cn1.
What is the InChIKey of 5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The InChIKey is MUOLSQDXOHCENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-12(2)24-11-16-9-14(5-7-17(16)21(24)25)20-13(3)19(23-27-20)15-6-8-18(26-4)22-10-15/h5-10,12H,11H2,1-4H3.
What are the key properties of 5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one has a molecular weight of 363.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6-methoxy-3-pyridinyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 118727341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).