2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione

C19H14N2O4 — CID 1480796

IUPAC2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione
SMILESCOc1ccc(-c2cc(CN3C(=O)c4ccccc4C3=O)on2)cc1
InChIInChI=1S/C19H14N2O4/c1-24-13-8-6-12(7-9-13)17-10-14(25-20-17)11-21-18(22)15-4-2-3-5-16(15)19(21)23/h2-10H,11H2,1H3
InChIKeyZJYOTXRFPZTYIL-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.15
Rot. Bonds4

About 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione

2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione (PubChem CID 1480796) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione
PubChem CID1480796
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione
SMILESCOc1ccc(-c2cc(CN3C(=O)c4ccccc4C3=O)on2)cc1
InChIInChI=1S/C19H14N2O4/c1-24-13-8-6-12(7-9-13)17-10-14(25-20-17)11-21-18(22)15-4-2-3-5-16(15)19(21)23/h2-10H,11H2,1H3
InChIKeyZJYOTXRFPZTYIL-UHFFFAOYSA-N
XLogP3.15
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione (CID 1480796) is 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione is COc1ccc(-c2cc(CN3C(=O)c4ccccc4C3=O)on2)cc1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione?
The InChIKey is ZJYOTXRFPZTYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-24-13-8-6-12(7-9-13)17-10-14(25-20-17)11-21-18(22)15-4-2-3-5-16(15)19(21)23/h2-10H,11H2,1H3.
What are the key properties of 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione?
2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione has a molecular weight of 334.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 1480796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).