4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide

C12H13ClN4O3 — CID 62688700

IUPAC4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCN(CCOc1ccccc1Cl)C(=O)c1nonc1N
InChIInChI=1S/C12H13ClN4O3/c1-17(12(18)10-11(14)16-20-15-10)6-7-19-9-5-3-2-4-8(9)13/h2-5H,6-7H2,1H3,(H2,14,16)
InChIKeyIZYUEGYGZJQCOU-UHFFFAOYSA-N
MW296.71 g/mol
LogP1.46
Rot. Bonds5

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

4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688700) has the molecular formula C12H13ClN4O3 and a molecular weight of 296.71 g/mol. Its IUPAC name is 4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688700
Molecular FormulaC12H13ClN4O3
Molecular Weight296.71 g/mol
Exact Mass296.07
IUPAC Name4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCN(CCOc1ccccc1Cl)C(=O)c1nonc1N
InChIInChI=1S/C12H13ClN4O3/c1-17(12(18)10-11(14)16-20-15-10)6-7-19-9-5-3-2-4-8(9)13/h2-5H,6-7H2,1H3,(H2,14,16)
InChIKeyIZYUEGYGZJQCOU-UHFFFAOYSA-N
XLogP1.46
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741559
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64524072
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980
5-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 60676187
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
(2R)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpentanamide
CID 93368335
2-chloro-N-[2-[2-(2-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]benzamide
CID 24551197
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N,2,2-trimethylpropanamide
CID 81488980
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949715
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 18119348

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide (CID 62688700) is 4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide is CN(CCOc1ccccc1Cl)C(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is IZYUEGYGZJQCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3/c1-17(12(18)10-11(14)16-20-15-10)6-7-19-9-5-3-2-4-8(9)13/h2-5H,6-7H2,1H3,(H2,14,16).
What are the key properties of 4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 296.71 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).