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

C13H14N2O4 — CID 79474663

IUPACethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C13H14N2O4/c1-3-18-12(16)8-11-14-13(15-19-11)9-4-6-10(17-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeyMHNMLOYWRWJGHJ-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.85
Rot. Bonds5

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

ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate (PubChem CID 79474663) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
PubChem CID79474663
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Nameethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(OC)cc2)no1
InChIInChI=1S/C13H14N2O4/c1-3-18-12(16)8-11-14-13(15-19-11)9-4-6-10(17-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeyMHNMLOYWRWJGHJ-UHFFFAOYSA-N
XLogP1.85
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474427
ethyl 2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475467
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dipropylacetamide
CID 110416420
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methylbenzoate
CID 40745448
1-cyclopropyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63344667
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide
CID 6625938
N-ethyl-2-(4-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8836273
[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 2-(2-chlorophenyl)acetate
CID 39803357
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 50778323
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methoxyphenyl)sulfanylacetate
CID 8551423
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanethiol
CID 30028427

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate (CID 79474663) is ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate is CCOC(=O)Cc1nc(-c2ccc(OC)cc2)no1.
What is the InChIKey of ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate?
The InChIKey is MHNMLOYWRWJGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-3-18-12(16)8-11-14-13(15-19-11)9-4-6-10(17-2)7-5-9/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate?
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate has a molecular weight of 262.26 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate is sourced from PubChem (CID 79474663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).