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

C11H9ClN2O3 — CID 79474434

IUPACmethyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCOC(=O)Cc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C11H9ClN2O3/c1-16-10(15)6-9-13-11(14-17-9)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3
InChIKeyGXKGHKQRGISUGS-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.11
Rot. Bonds3

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

methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate (PubChem CID 79474434) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
PubChem CID79474434
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Namemethyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCOC(=O)Cc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C11H9ClN2O3/c1-16-10(15)6-9-13-11(14-17-9)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3
InChIKeyGXKGHKQRGISUGS-UHFFFAOYSA-N
XLogP2.11
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetate
CID 60661749
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345476
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide
CID 4969886
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 6492197
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzamide
CID 4970836
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
CID 43465937
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
ethyl 3-(2-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 55191222
(2R)-2-amino-N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 124500623
methyl 4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 19657942
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 4896075
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,5-dimethoxy-N-methylbenzamide
CID 50874671

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate?
The IUPAC name of methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate (CID 79474434) is methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate?
The canonical SMILES for methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate is COC(=O)Cc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate?
The InChIKey is GXKGHKQRGISUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-16-10(15)6-9-13-11(14-17-9)7-4-2-3-5-8(7)12/h2-5H,6H2,1H3.
What are the key properties of methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate?
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate has a molecular weight of 252.66 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate is sourced from PubChem (CID 79474434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).