5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one

C21H20N2O2 — CID 118727343

IUPAC5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
SMILESCc1ccc(-c2cc(-c3ccc4c(c3)CN(C(C)C)C4=O)on2)cc1
InChIInChI=1S/C21H20N2O2/c1-13(2)23-12-17-10-16(8-9-18(17)21(23)24)20-11-19(22-25-20)15-6-4-14(3)5-7-15/h4-11,13H,12H2,1-3H3
InChIKeyUYQMDHDNZIDNQB-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.68
Rot. Bonds3

About 5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one

5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one (PubChem CID 118727343) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
PubChem CID118727343
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
SMILESCc1ccc(-c2cc(-c3ccc4c(c3)CN(C(C)C)C4=O)on2)cc1
InChIInChI=1S/C21H20N2O2/c1-13(2)23-12-17-10-16(8-9-18(17)21(23)24)20-11-19(22-25-20)15-6-4-14(3)5-7-15/h4-11,13H,12H2,1-3H3
InChIKeyUYQMDHDNZIDNQB-UHFFFAOYSA-N
XLogP4.68
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The IUPAC name of 5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one (CID 118727343) is 5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The canonical SMILES for 5-[3-(4-methylphenyl)-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)cc1.
What is the InChIKey of 5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The InChIKey is UYQMDHDNZIDNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-13(2)23-12-17-10-16(8-9-18(17)21(23)24)20-11-19(22-25-20)15-6-4-14(3)5-7-15/h4-11,13H,12H2,1-3H3.
What are the key properties of 5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one has a molecular weight of 332.40 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 118727343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).