[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C23H23FN2O5 — CID 55391364

IUPAC[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCOc1ccc(-c2noc(COC(=O)C3(c4ccc(F)cc4)CCCC3)n2)c(OC)c1
InChIInChI=1S/C23H23FN2O5/c1-28-17-9-10-18(19(13-17)29-2)21-25-20(31-26-21)14-30-22(27)23(11-3-4-12-23)15-5-7-16(24)8-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyMZWLUXRRHHFDDS-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.45
Rot. Bonds7

About [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 55391364) has the molecular formula C23H23FN2O5 and a molecular weight of 426.44 g/mol. Its IUPAC name is [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID55391364
Molecular FormulaC23H23FN2O5
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC Name[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESCOc1ccc(-c2noc(COC(=O)C3(c4ccc(F)cc4)CCCC3)n2)c(OC)c1
InChIInChI=1S/C23H23FN2O5/c1-28-17-9-10-18(19(13-17)29-2)21-25-20(31-26-21)14-30-22(27)23(11-3-4-12-23)15-5-7-16(24)8-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeyMZWLUXRRHHFDDS-UHFFFAOYSA-N
XLogP4.45
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate with MolForge

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Related Compounds

[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-bromo-4-fluorobenzoate
CID 55393507
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl cyclohexanecarboxylate
CID 9416190
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3,4,5-trimethoxyphenyl)acetate
CID 16563810
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 55391459
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-thiophen-3-ylacetate
CID 9417383
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-tert-butylbenzoate
CID 55390781
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 9477075
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chlorobenzoate
CID 9412608
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl thiophene-2-carboxylate
CID 9417998
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-benzothiophene-2-carboxylate
CID 8835258
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55391458
3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 9353480

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 55391364) is [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate is COc1ccc(-c2noc(COC(=O)C3(c4ccc(F)cc4)CCCC3)n2)c(OC)c1.
What is the InChIKey of [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is MZWLUXRRHHFDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5/c1-28-17-9-10-18(19(13-17)29-2)21-25-20(31-26-21)14-30-22(27)23(11-3-4-12-23)15-5-7-16(24)8-6-15/h5-10,13H,3-4,11-12,14H2,1-2H3.
What are the key properties of [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 426.44 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 55391364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).