[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate

C19H17ClN2O5 — CID 55545324

IUPAC[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OCCC(=O)OCc2noc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H17ClN2O5/c1-24-13-6-8-14(9-7-13)25-11-10-18(23)26-12-17-21-19(27-22-17)15-4-2-3-5-16(15)20/h2-9H,10-12H2,1H3
InChIKeyKSIFMNMARLUDGX-UHFFFAOYSA-N
MW388.81 g/mol
LogP3.91
Rot. Bonds8

About [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate

[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate (PubChem CID 55545324) has the molecular formula C19H17ClN2O5 and a molecular weight of 388.81 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate
PubChem CID55545324
Molecular FormulaC19H17ClN2O5
Molecular Weight388.81 g/mol
Exact Mass388.08
IUPAC Name[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OCCC(=O)OCc2noc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H17ClN2O5/c1-24-13-6-8-14(9-7-13)25-11-10-18(23)26-12-17-21-19(27-22-17)15-4-2-3-5-16(15)20/h2-9H,10-12H2,1H3
InChIKeyKSIFMNMARLUDGX-UHFFFAOYSA-N
XLogP3.91
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 31530881
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methylidene-3-oxoisoindol-2-yl)acetate
CID 31532566
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl quinoxaline-6-carboxylate
CID 55552084
1-[5-chloro-2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]ethanone
CID 38859705
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 31419420
2-(4-methoxyphenoxy)-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30331884
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55551681
5-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 31285113
5-(2-chlorophenyl)-3-propyl-1,2,4-oxadiazole
CID 869984
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 55552821
5-(2-chlorophenyl)-3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 874813
2-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 12551367

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate?
The IUPAC name of [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate (CID 55545324) is [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate?
The canonical SMILES for [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate is COc1ccc(OCCC(=O)OCc2noc(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate?
The InChIKey is KSIFMNMARLUDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5/c1-24-13-6-8-14(9-7-13)25-11-10-18(23)26-12-17-21-19(27-22-17)15-4-2-3-5-16(15)20/h2-9H,10-12H2,1H3.
What are the key properties of [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate?
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate has a molecular weight of 388.81 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 55545324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).