ethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate

C12H11ClN2O4 — CID 2743654

IUPACethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(COc2ccccc2Cl)no1
InChIInChI=1S/C12H11ClN2O4/c1-2-17-12(16)11-14-10(15-19-11)7-18-9-6-4-3-5-8(9)13/h3-6H,2,7H2,1H3
InChIKeyDRYQYWBEEZUHGH-UHFFFAOYSA-N
MW282.68 g/mol
LogP2.48
Rot. Bonds5

About ethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate

ethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate (PubChem CID 2743654) has the molecular formula C12H11ClN2O4 and a molecular weight of 282.68 g/mol. Its IUPAC name is ethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate
PubChem CID2743654
Molecular FormulaC12H11ClN2O4
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Nameethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(COc2ccccc2Cl)no1
InChIInChI=1S/C12H11ClN2O4/c1-2-17-12(16)11-14-10(15-19-11)7-18-9-6-4-3-5-8(9)13/h3-6H,2,7H2,1H3
InChIKeyDRYQYWBEEZUHGH-UHFFFAOYSA-N
XLogP2.48
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-(2-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 55191222
ethyl 2-amino-4-[(2-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851197
3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 42692478
ethyl 3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazole-5-carboxylate
CID 66143950
ethyl 3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxylate
CID 63358352
3-[(2-carbamoylphenoxy)methyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 45495123
ethyl 3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 57360994
4-O-(2-chlorophenyl) 1-O-ethyl benzene-1,4-dicarboxylate
CID 22994694
ethyl 3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxylate
CID 63357944
ethyl 2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]acetate
CID 71692586
3-[(2-chlorophenoxy)methyl]-5-[difluoro(phenyl)methyl]-1,2,4-oxadiazole
CID 146097169
ethyl 3-(3,5-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 107917947

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate (CID 2743654) is ethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(COc2ccccc2Cl)no1.
What is the InChIKey of ethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is DRYQYWBEEZUHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4/c1-2-17-12(16)11-14-10(15-19-11)7-18-9-6-4-3-5-8(9)13/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate?
ethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 282.68 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-chlorophenoxy)methyl]-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 2743654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).