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

C13H14ClN3O3 — CID 60670430

IUPACmethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C13H14ClN3O3/c1-17(8-12(18)19-2)7-11-15-16-13(20-11)9-5-3-4-6-10(9)14/h3-6H,7-8H2,1-2H3
InChIKeyQEFOCNKKUGKGEH-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.99
Rot. Bonds5

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

methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate (PubChem CID 60670430) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
PubChem CID60670430
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Namemethyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1nnc(-c2ccccc2Cl)o1
InChIInChI=1S/C13H14ClN3O3/c1-17(8-12(18)19-2)7-11-15-16-13(20-11)9-5-3-4-6-10(9)14/h3-6H,7-8H2,1-2H3
InChIKeyQEFOCNKKUGKGEH-UHFFFAOYSA-N
XLogP1.99
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55410713
methyl 2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetate
CID 60661749
methyl 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670446
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropanoic acid
CID 62821774
propan-2-yl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetate
CID 78825656
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 47395100
3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea
CID 110321568
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol
CID 111858727
N-(2-chlorophenyl)-2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 9254768
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl butanoate
CID 78761992
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoate
CID 62013028
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,3-dimethylbutanoate
CID 78760319

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate?
The IUPAC name of methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate (CID 60670430) is methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate is COC(=O)CN(C)Cc1nnc(-c2ccccc2Cl)o1.
What is the InChIKey of methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate?
The InChIKey is QEFOCNKKUGKGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-17(8-12(18)19-2)7-11-15-16-13(20-11)9-5-3-4-6-10(9)14/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate?
methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate has a molecular weight of 295.73 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate is sourced from PubChem (CID 60670430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).