methyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate

C14H16N2O4 — CID 22343336

IUPACmethyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate
SMILESCOCc1ccc(-c2noc(CCC(=O)OC)n2)cc1
InChIInChI=1S/C14H16N2O4/c1-18-9-10-3-5-11(6-4-10)14-15-12(20-16-14)7-8-13(17)19-2/h3-6H,7-9H2,1-2H3
InChIKeyHQYAYDMURLDZFM-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.99
Rot. Bonds6

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

methyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate (PubChem CID 22343336) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate
PubChem CID22343336
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate
SMILESCOCc1ccc(-c2noc(CCC(=O)OC)n2)cc1
InChIInChI=1S/C14H16N2O4/c1-18-9-10-3-5-11(6-4-10)14-15-12(20-16-14)7-8-13(17)19-2/h3-6H,7-9H2,1-2H3
InChIKeyHQYAYDMURLDZFM-UHFFFAOYSA-N
XLogP1.99
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 44543077
methyl 3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 22343201
(4-chlorophenyl) 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 24592474
(4-fluorophenyl) 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 24592484
methyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyloxy]benzoate
CID 9192156
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 34740429
methyl 3-[3-[4-(4-formylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 86584785
(4-cyanophenyl)methyl 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 8665874
methyl 3-[benzyl-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]propanoate
CID 55513095
(2,6-dimethylphenyl) 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 9192024
methyl 4-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoate
CID 39704791
N-(2-methoxyethyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762175

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate?
The IUPAC name of methyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate (CID 22343336) is methyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate.
What is the SMILES notation for methyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate?
The canonical SMILES for methyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate is COCc1ccc(-c2noc(CCC(=O)OC)n2)cc1.
What is the InChIKey of methyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate?
The InChIKey is HQYAYDMURLDZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-18-9-10-3-5-11(6-4-10)14-15-12(20-16-14)7-8-13(17)19-2/h3-6H,7-9H2,1-2H3.
What are the key properties of methyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate?
methyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate has a molecular weight of 276.29 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanoate is sourced from PubChem (CID 22343336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).