methyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate

C11H9ClN2O4 — CID 117063330

IUPACmethyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(-c2nnco2)cc1Cl
InChIInChI=1S/C11H9ClN2O4/c1-16-10(15)5-17-9-3-2-7(4-8(9)12)11-14-13-6-18-11/h2-4,6H,5H2,1H3
InChIKeySBKUGJCALIPFJZ-UHFFFAOYSA-N
MW268.66 g/mol
LogP1.94
Rot. Bonds4

About methyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate

methyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate (PubChem CID 117063330) has the molecular formula C11H9ClN2O4 and a molecular weight of 268.66 g/mol. Its IUPAC name is methyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate
PubChem CID117063330
Molecular FormulaC11H9ClN2O4
Molecular Weight268.66 g/mol
Exact Mass268.03
IUPAC Namemethyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(-c2nnco2)cc1Cl
InChIInChI=1S/C11H9ClN2O4/c1-16-10(15)5-17-9-3-2-7(4-8(9)12)11-14-13-6-18-11/h2-4,6H,5H2,1H3
InChIKeySBKUGJCALIPFJZ-UHFFFAOYSA-N
XLogP1.94
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate
CID 8874039
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42368813
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7984861
methyl 2-(4-carbamothioyl-2-chlorophenoxy)acetate
CID 61389131
methyl 2-[4-(1,3,4-oxadiazol-2-yl)pyridin-1-ium-1-yl]acetate
CID 154673672
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate
CID 8894462
N-(3,4-diethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556124
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098
methyl 2-[2-chloro-4-[(3,4-dichlorophenyl)sulfamoyl]phenoxy]acetate
CID 2206278
methyl 4-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 575319

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate?
The IUPAC name of methyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate (CID 117063330) is methyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate?
The canonical SMILES for methyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate is COC(=O)COc1ccc(-c2nnco2)cc1Cl.
What is the InChIKey of methyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate?
The InChIKey is SBKUGJCALIPFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4/c1-16-10(15)5-17-9-3-2-7(4-8(9)12)11-14-13-6-18-11/h2-4,6H,5H2,1H3.
What are the key properties of methyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate?
methyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate has a molecular weight of 268.66 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate is sourced from PubChem (CID 117063330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).