N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide

C14H17N3O3 — CID 39854679

IUPACN-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide
SMILESCCN(Cc1nonc1C)C(=O)COc1ccccc1
InChIInChI=1S/C14H17N3O3/c1-3-17(9-13-11(2)15-20-16-13)14(18)10-19-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3
InChIKeyFIAKKFJVRKYJSY-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.81
Rot. Bonds6

About N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide

N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide (PubChem CID 39854679) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide
PubChem CID39854679
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide
SMILESCCN(Cc1nonc1C)C(=O)COc1ccccc1
InChIInChI=1S/C14H17N3O3/c1-3-17(9-13-11(2)15-20-16-13)14(18)10-19-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3
InChIKeyFIAKKFJVRKYJSY-UHFFFAOYSA-N
XLogP1.81
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-(2-phenoxyacetyl)amino]propanoic acid
CID 61007797
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
N-(4-aminobutyl)-N-ethyl-2-phenoxyacetamide
CID 83969246
N,N-dibutyl-2-phenoxyacetamide
CID 4074500
N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide
CID 7964477
ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate
CID 78962416
2-[carboxymethyl-(2-phenoxyacetyl)amino]acetic acid
CID 63651467
1-ethyl-3-(3-fluorophenyl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]urea
CID 39854669
N,N-diethyl-2-(4-sulfanylphenoxy)acetamide
CID 23092623
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-phenoxyacetyl)-propylamino]acetamide
CID 4117230
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148
N,N-bis(cyanomethyl)-2-phenoxyacetamide
CID 842502

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide (CID 39854679) is N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide is CCN(Cc1nonc1C)C(=O)COc1ccccc1.
What is the InChIKey of N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide?
The InChIKey is FIAKKFJVRKYJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-17(9-13-11(2)15-20-16-13)14(18)10-19-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3.
What are the key properties of N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide?
N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide has a molecular weight of 275.31 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 39854679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).