2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione

C26H20N2O5 — CID 68983901

IUPAC2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione
SMILESCOc1ccc(-c2nc(CN3C(=O)c4ccccc4C3=O)co2)cc1OCc1ccccc1
InChIInChI=1S/C26H20N2O5/c1-31-22-12-11-18(13-23(22)32-15-17-7-3-2-4-8-17)24-27-19(16-33-24)14-28-25(29)20-9-5-6-10-21(20)26(28)30/h2-13,16H,14-15H2,1H3
InChIKeyHYHGNGGKPFVTNX-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.73
Rot. Bonds7

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

2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione (PubChem CID 68983901) has the molecular formula C26H20N2O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is 2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione
PubChem CID68983901
Molecular FormulaC26H20N2O5
Molecular Weight440.46 g/mol
Exact Mass440.14
IUPAC Name2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione
SMILESCOc1ccc(-c2nc(CN3C(=O)c4ccccc4C3=O)co2)cc1OCc1ccccc1
InChIInChI=1S/C26H20N2O5/c1-31-22-12-11-18(13-23(22)32-15-17-7-3-2-4-8-17)24-27-19(16-33-24)14-28-25(29)20-9-5-6-10-21(20)26(28)30/h2-13,16H,14-15H2,1H3
InChIKeyHYHGNGGKPFVTNX-UHFFFAOYSA-N
XLogP4.73
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

Difamilast
CID 57855696
2-[cyclohexyl-[2-[2-(3,4-dimethoxyphenyl)-1,3-oxazol-4-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53393839
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-(6-methoxynaphthalen-2-yl)-1,3-oxazole
CID 71524589
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-(6-fluoronaphthalen-2-yl)-1,3-oxazole
CID 71062020
5-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 2024413
1-{[2-(3,4-Dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4-phenylpiperidine
CID 16191430
[2-[(3,4-Dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone
CID 24790468
[2-[(3,4-Dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-(3,4-dimethylpiperazin-1-yl)methanone
CID 24791685
2-(3,4-Dimethoxybenzyl)-6-{[2-(methoxymethyl)-1-piperidinyl]carbonyl}-1,3-benzoxazole
CID 24817473
[2-[(3,4-Dimethoxyphenyl)methyl]-1,3-benzoxazol-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 24818956
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole
CID 71062093
n-[2-(4-Difluoromethoxy-3-isobutoxyphenyl)oxazol-4-ylmethyl]-2-ethoxybenzamide
CID 25142154

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione (CID 68983901) is 2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione is COc1ccc(-c2nc(CN3C(=O)c4ccccc4C3=O)co2)cc1OCc1ccccc1.
What is the InChIKey of 2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione?
The InChIKey is HYHGNGGKPFVTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O5/c1-31-22-12-11-18(13-23(22)32-15-17-7-3-2-4-8-17)24-27-19(16-33-24)14-28-25(29)20-9-5-6-10-21(20)26(28)30/h2-13,16H,14-15H2,1H3.
What are the key properties of 2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione?
2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione has a molecular weight of 440.46 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxy-3-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 68983901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).