2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione

C25H25N3O5 — CID 68622990

IUPAC2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione
SMILESCOc1ccc(C(Cc2nnco2)CN2C(=O)c3ccccc3C2=O)cc1OC1CCCC1
InChIInChI=1S/C25H25N3O5/c1-31-21-11-10-16(12-22(21)33-18-6-2-3-7-18)17(13-23-27-26-15-32-23)14-28-24(29)19-8-4-5-9-20(19)25(28)30/h4-5,8-12,15,17-18H,2-3,6-7,13-14H2,1H3
InChIKeyQCZOJFQZIAWZIQ-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.02
Rot. Bonds8

About 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione

2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione (PubChem CID 68622990) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione
PubChem CID68622990
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione
SMILESCOc1ccc(C(Cc2nnco2)CN2C(=O)c3ccccc3C2=O)cc1OC1CCCC1
InChIInChI=1S/C25H25N3O5/c1-31-21-11-10-16(12-22(21)33-18-6-2-3-7-18)17(13-23-27-26-15-32-23)14-28-24(29)19-8-4-5-9-20(19)25(28)30/h4-5,8-12,15,17-18H,2-3,6-7,13-14H2,1H3
InChIKeyQCZOJFQZIAWZIQ-UHFFFAOYSA-N
XLogP4.02
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione with MolForge

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Related Compounds

N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide
CID 142842075
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-(cyclopropylmethyl)-3H-isoindol-1-one
CID 57088865
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methoxy-3H-isoindol-1-one
CID 57240400
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-hydroxy-3H-isoindol-1-one
CID 57249849
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide;3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 159704439
2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde
CID 102162287
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid
CID 67654163
3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-3-(3-oxo-1,2-dihydroisoindol-1-yl)propanamide
CID 87559865
2-cyclopentyloxy-1-methoxy-4-(1-phenylmethoxyethyl)benzene
CID 57236952
ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate
CID 57138770
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-cyclopropyl-3-hydroxyisoindol-1-one
CID 54425395
bis[2-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]methanone
CID 67693091

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione (CID 68622990) is 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione is COc1ccc(C(Cc2nnco2)CN2C(=O)c3ccccc3C2=O)cc1OC1CCCC1.
What is the InChIKey of 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione?
The InChIKey is QCZOJFQZIAWZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-31-21-11-10-16(12-22(21)33-18-6-2-3-7-18)17(13-23-27-26-15-32-23)14-28-24(29)19-8-4-5-9-20(19)25(28)30/h4-5,8-12,15,17-18H,2-3,6-7,13-14H2,1H3.
What are the key properties of 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione?
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione has a molecular weight of 447.49 g/mol, XLogP of 4.02, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 68622990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).