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

C19H17ClN2O4 — CID 31530881

IUPAC[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCc2noc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H17ClN2O4/c1-24-14-9-6-13(7-10-14)8-11-18(23)25-12-17-21-19(26-22-17)15-4-2-3-5-16(15)20/h2-7,9-10H,8,11-12H2,1H3
InChIKeyROGGTFYFBQUXFU-UHFFFAOYSA-N
MW372.81 g/mol
LogP4.07
Rot. Bonds7

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

[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate (PubChem CID 31530881) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
PubChem CID31530881
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OCc2noc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C19H17ClN2O4/c1-24-14-9-6-13(7-10-14)8-11-18(23)25-12-17-21-19(26-22-17)15-4-2-3-5-16(15)20/h2-7,9-10H,8,11-12H2,1H3
InChIKeyROGGTFYFBQUXFU-UHFFFAOYSA-N
XLogP4.07
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate?
The IUPAC name of [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate (CID 31530881) is [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)OCc2noc(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate?
The InChIKey is ROGGTFYFBQUXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-24-14-9-6-13(7-10-14)8-11-18(23)25-12-17-21-19(26-22-17)15-4-2-3-5-16(15)20/h2-7,9-10H,8,11-12H2,1H3.
What are the key properties of [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate?
[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate has a molecular weight of 372.81 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 31530881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).