3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide

C13H14N4O4 — CID 39333258

IUPAC3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(COc2ccc(NC(C)=O)cc2)no1
InChIInChI=1S/C13H14N4O4/c1-8(18)15-9-3-5-10(6-4-9)20-7-11-16-13(21-17-11)12(19)14-2/h3-6H,7H2,1-2H3,(H,14,19)(H,15,18)
InChIKeyZMPMZUUHZIZPLN-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.97
Rot. Bonds5

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

3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 39333258) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID39333258
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(COc2ccc(NC(C)=O)cc2)no1
InChIInChI=1S/C13H14N4O4/c1-8(18)15-9-3-5-10(6-4-9)20-7-11-16-13(21-17-11)12(19)14-2/h3-6H,7H2,1-2H3,(H,14,19)(H,15,18)
InChIKeyZMPMZUUHZIZPLN-UHFFFAOYSA-N
XLogP0.97
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42650943
N-[4-[[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]acetamide
CID 29132728
3-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29136018
3-[(4-acetamidophenoxy)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 42651602
3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684
N-(4-methoxyphenyl)-3-[2-(methylamino)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 120867431
N-[4-[(5-formylpyrimidin-2-yl)methoxy]phenyl]acetamide
CID 99976275
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 38476918
3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 29127360
3-amino-2-methyl-N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]butanamide
CID 120500670
N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide
CID 32766350
2-amino-N-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetamide
CID 119323625

Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide (CID 39333258) is 3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide is CNC(=O)c1nc(COc2ccc(NC(C)=O)cc2)no1.
What is the InChIKey of 3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ZMPMZUUHZIZPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-8(18)15-9-3-5-10(6-4-9)20-7-11-16-13(21-17-11)12(19)14-2/h3-6H,7H2,1-2H3,(H,14,19)(H,15,18).
What are the key properties of 3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetamidophenoxy)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 39333258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).