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

C18H15ClN2O4 — CID 39803357

IUPAC[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenyl)acetate
SMILESCOc1ccc(-c2noc(COC(=O)Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C18H15ClN2O4/c1-23-14-8-6-12(7-9-14)18-20-16(25-21-18)11-24-17(22)10-13-4-2-3-5-15(13)19/h2-9H,10-11H2,1H3
InChIKeyOUBUZFPFTDDIEN-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.68
Rot. Bonds6

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

[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenyl)acetate (PubChem CID 39803357) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenyl)acetate.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenyl)acetate
PubChem CID39803357
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenyl)acetate
SMILESCOc1ccc(-c2noc(COC(=O)Cc3ccccc3Cl)n2)cc1
InChIInChI=1S/C18H15ClN2O4/c1-23-14-8-6-12(7-9-14)18-20-16(25-21-18)11-24-17(22)10-13-4-2-3-5-15(13)19/h2-9H,10-11H2,1H3
InChIKeyOUBUZFPFTDDIEN-UHFFFAOYSA-N
XLogP3.68
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenoxy)acetate
CID 40755686
[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-methoxyphenyl)acetate
CID 51047370
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate
CID 29364003
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methoxyphenyl)sulfanylacetate
CID 8551423
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 34740429
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl pyridine-2-carboxylate
CID 40734371
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylbenzoate
CID 40745448
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-quinolin-2-ylpropanoate
CID 31648017
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2-(2-methylphenyl)acetate
CID 46517032
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenoxy)acetate
CID 8521021
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (3S)-3-phenylbutanoate
CID 8522651

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenyl)acetate?
The IUPAC name of [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenyl)acetate (CID 39803357) is [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenyl)acetate.
What is the SMILES notation for [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenyl)acetate?
The canonical SMILES for [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenyl)acetate is COc1ccc(-c2noc(COC(=O)Cc3ccccc3Cl)n2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenyl)acetate?
The InChIKey is OUBUZFPFTDDIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-23-14-8-6-12(7-9-14)18-20-16(25-21-18)11-24-17(22)10-13-4-2-3-5-15(13)19/h2-9H,10-11H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenyl)acetate?
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenyl)acetate has a molecular weight of 358.78 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenyl)acetate is sourced from PubChem (CID 39803357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).