N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide

C14H15N3O4 — CID 55765938

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)C2COCCO2)no1
InChIInChI=1S/C14H15N3O4/c1-9-15-13(17-21-9)10-4-2-3-5-11(10)16-14(18)12-8-19-6-7-20-12/h2-5,12H,6-8H2,1H3,(H,16,18)
InChIKeyAZVMDFZABMZPKY-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.40
Rot. Bonds3

About N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide (PubChem CID 55765938) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide
PubChem CID55765938
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide
SMILESCc1nc(-c2ccccc2NC(=O)C2COCCO2)no1
InChIInChI=1S/C14H15N3O4/c1-9-15-13(17-21-9)10-4-2-3-5-11(10)16-14(18)12-8-19-6-7-20-12/h2-5,12H,6-8H2,1H3,(H,16,18)
InChIKeyAZVMDFZABMZPKY-UHFFFAOYSA-N
XLogP1.40
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 136577578
2-(1,4-dioxane-2-carbonylamino)benzoic acid
CID 43353060
4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700547
N-phenyl-1,4-dioxane-2-carboxamide
CID 47176768
(2S)-N-phenyl-1,4-dioxane-2-carboxamide
CID 39885866
1-(benzenesulfonyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-3-carboxamide
CID 55765498
4-(diethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700552
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55700523
4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55766056
N-(6-fluoro-2-pyridinyl)-1,4-dioxane-2-carboxamide
CID 104820872
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55700588
N-[2-(2-aminoethylcarbamoyl)phenyl]-1,4-dioxane-2-carboxamide;hydrochloride
CID 120603354

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide (CID 55765938) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide is Cc1nc(-c2ccccc2NC(=O)C2COCCO2)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide?
The InChIKey is AZVMDFZABMZPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9-15-13(17-21-9)10-4-2-3-5-11(10)16-14(18)12-8-19-6-7-20-12/h2-5,12H,6-8H2,1H3,(H,16,18).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 55765938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).